From ??? (at) ??? Tue Oct 9 14:00:00 1993 Date: 30 Mar 94 21:45:03 PST From: vdvk (at) netcom.com (Didier J. Vanderveken) Subject: Molecular Graphics Packages This is a list of molecular graphics packages. Thanks to those who replied to my query. The format of the database is like a mailbox. You can read it with your email program. The list is far to be complete. If you wish to add a new entry or to complete an existing one, please send me the attached form. I would like to limit my job to the merging of all emails. Anonymous posting will not be accepted and your email address will appear in the database. The subject line should be the type of computer (UNIX, PC, Mac) and the name of the program, like: UNIX MyProgram Feel free to remove a line or to duplicate a line. Each line must start with one of the defined keyword. Don't use tabs. If you would like to see more keywords, send me a separate email. - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - Program_Name: Program_Version: latest version available Program_Date: date of the latest version Topic: simple_molecule, drug, crystal, polymer, protein, inorganic, ... Bibliographic_Ref: If you published an article about your program Input_Format: PDB, CSD, ORTEP, XYZ, MOPAC, ... Output_Format: PDB, CSD, ORTEP, XYZ, ... Molecular_Model: wire, stick, stick_and_ball, CPK, ribbon, alpha_trace, ... Output_Type: display, PostScript, HPGL, PICT, GIF, ... Operating_System: Unix, Mac, MSDOS, Windows, ... Computer_Type: IBM RS/6000, SGI Indigo, ... Hardware_Requested: dials, coprocessor, ... Hardware_Supported: stereo_display, special input devices, ... Graphic_Library: GL, PHIGS, X11, ... Distribution_Method: public_domain, freeware, shareware, commercial, ... Ftp_Site: Ftp_Directory: Price_Academic: Price_Private: Contact_Affiliation: Contact_Name: Contact_Phone: +1-234-567-8901 (international number of the headquarters) Contact_Fax: Contact_Email: -------------------------------------------------------------------------- The easiest way to view the list of molecular graphics packages is to use gopher: gopher www.ccl.net Choose Other OSC Gophers, then Chemistry, then documents, and then molecular_graphics_packages. Since the file conforms to the UNIX mailbox format, you can view it by Subjects. You can also retrieve the whole file via ftp: ftp www.ccl.net Name: anonymous Password: Your_True_E-mail_Address ftp> cd pub/chemistry/documents ftp> get molecular_graphics_packages ftp> quit For people without ftp access, you can still get it via e-mail. If you want to preserve the mailbox format, you need to uuencode it (i.e., use the command: get molecular_graphics_packages | uuencode) since the email will change every From ??? (at) ??? line to >From ??? (at) ???. You can also use the editor to clean this up. So, if you want to get this via e-mail send the message: select chemistry size 60kb cd documents ls get molecular_graphics_packages quit -------------------------------------------------------------------------- From ??? (at) ??? Sun Oct 03 17:06:42 1993 From: "William T. Winter" Subject: Mac PC ALCHEMY III Program_Name: ALCHEMY III Program_Version: III Program_Date: 3/92 Topic: simple_molecule, drug, crystal, polymer, protein, inorganic, ... Input_Format: PDB, XYZ, SYBYL, MM2, ... Output_Format: PDB, MM2, XYZ, SYBYL... Molecular_Model: wire, stick, stick_and_ball, CPK, Output_Type: display, HPGL Operating_System: Mac, MSDOS Computer_Type: 86 or higher PC with VGA graphics - Macintosh Hardware_Requested: coprocessor Distribution_Method: commercial Price_Academic: 495 Price_Private: ~1000. Contact_Affiliation: Tripos Associates, 1699 S. Hanley Rd St Louis MO 63144 Contact_Phone: +1-314-647-1099 From ??? (at) ??? Wed Sep 29 10:58:08 1993 Date: Wed, 29 Sep 1993 12:27:29 -0500 (CDT) From: AHOLDER (at) VAX1.UMKC.EDU Subject: Unix/VMS AMPAC with Graphical User Interface Program_Name: AMPAC with Graphical User Interface Program_Version: 4.5 Program_Date: April, 1993 Topic: Semiempirical Quantum mechanical methods Input_Format: MOPAC, AMPAC, cartesian Output_Format: MOPAC, AMPAC Molecular_Model: wire, ball_and_stick Output_Type: display, Operating_System: Unix, VMS Computer_Type: IBM RS/6000, SGI, VAX, DECStation, Alpha AXP, Convex, Cray, HP Hardware_Requested: 32MB of memory, 10 MB disk space Graphic_Library: X11 Distribution_Method: Commercial Price_Academic: $800 Price_Private: Call Contact_Affiliation: President, Semichem / Prof., U. of Missouri-KC Contact_Name: Andy Holder Contact_Phone: (913)268-3271 Contact_Fax: (913)268-3445 Contact_Email: aholder (at) vax1.umkc.edu From ??? (at) ??? Mon Nov 08 08:29:29 1993 From: rudy (at) utirc.utoronto.ca (Rudy Ziegler) Subject: Unix ATOMTV Date: Mon, 8 Nov 1993 10:12:21 -0500 (EST) Program_Name: atomtv Program_Version: 1.1 Program_Date: November 1993 Topic: atomic trajectories Input_Format: cartesian coordinates Molecular_Model: shaded spheres Output_Type: display, sgi rgb images, rayshade scene description Operating_System: Irix Computer_Type: SGI (tested on Indigo^2 Extreme and 4D70GT, should run on others)Graphic_Library: GL Distribution_Method: public_domain Ftp_Site: ftp.utirc.utoronto.ca Ftp_Directory: pub/atomtv Contact_Affiliation: University of Toronto Instructional and Research Computing Contact_Name: Rudy Ziegler Contact_Email: rudy (at) utirc.utoronto.ca From ??? (at) ??? Sat Oct 30 14:00:00 1993 Date: Thu, 11 Nov 1993 13:03:58 -0700 (MST) From: Pat Walters Subject: Unix PC Mac BABEL Remark from the editor : THIS IS NOT a molecular GRAPHICS package Remark from the editor : but it seems to be interesting and is free Program_Name: BABEL Program_Version: 1.0 Program_Date: 8-93 Topic: file conversion Bibliographic_Ref: Shah, A.V., Walters, W.P., Shah, R., and Dolata, Bibliographic_Ref: D.P., "Babel a Tool for Converting Between Molecular Bibliographic_Ref: Data Formats", Computerized Chemical Data Standards : Bibliographic_Ref: Databases, Data Interchange, and Information Systems, Bibliographic_Ref: ASTM STP 1214, Rich Lysakowski and Charles E. Gragg, Eds. Bibliographic_Ref: American Society for Testing and Materials, Philadelphia, Bibliographic_Ref: 1994. Input_Format: Mopac Cartesian Mopac Internal Mopac Output Input_Format: CSD GSTAT CSD CSSR Free Form Fractional Input_Format: Macromodel MM2 Output PDB Input_Format: Alchemy XYZ Mac Molecule Input_Format: Chem3D MicroWorld Ball and Stick Input_Format: MOLIN Output_Format: Mopac Cartesian Mopac Internal Gaussian Input Output_Format: IDATM Macromodel Mac Molecule Output_Format: MM2 Input MM2 Ouput PDB file Output_Format: Report of interatiomic distances, angles, and torsions Output_Format: Alchemy XYZ Ball and Stick Output_Format: Chem3D MicroWorld Molecular_Model: Output_Type: Operating_System: Unix (AIX, Ultrix, Sun-OS, Convex, SGI, Cray, Linux), MS-DOS Operating_System: Macs running at least System 7.0 Computer_Type: Hardware_Requested: Hardware_Supported: Graphic_Library: Distribution_Method: freeware Ftp_Site: joplin.biosci.arizona.edu Ftp_Directory: pub/Babel Price_Academic: FREE Price_Private: FREE Contact_Affiliation: Dept. of Chemistry University of Arizona Contact_Name: Pat Walters Contact_Phone: Contact_Fax: Contact_Email: babel (at) mercury.aichem.arizona.edu From ??? (at) ??? Wed Sep 29 02:59:31 1993 Date: Wed, 29 Sep 1993 08:56:47 +0100 From: NMUELLER (at) EDVZ.UNI-LINZ.AC.AT (Norbert Mueller) Subject: Mac BALL & STICK Program_Name: Ball & Stick Program_Version: 3.5.1 Program_Date: 06-93 Topic: organic, drug, crystal, protein, inorganic, publication Input_Format: PDB, CSD, XYZ, MOPAC, MOLFILE, MM2, SHELX, MOLDAT, CHEM3D, CHEMDRAW Input_Format: CHEMINTOSH, MACMOLECULE; (automatic format recognition!) Output_Format: PDB, XYZ, MOPAC, MOLFILE, MM2, MOLDAT, CHEM3D Molecular_Model: wire, stick, stick_and_ball, CPK, dotted spheres, simplified CPK Output_Type: display, PICT, PostScript (with LaserWriter driver), PICS, QuickTime Operating_System: Mac (6.7 or 7.x), A/UX Computer_Type: Macintosh Plus or better Hardware_Supported: math-coprocessor, large screens, multiple screens, color printers Graphic_Library: QuickDraw Distribution_Method: commercial Ftp_Site: DEMO: sumex-aim.stanford.edu Ftp_Directory: DEMO: info-mac/demo Price_Academic: US$ 255.00 (volume discounts available) Price_Private: US$ 299.00 Contact_Affiliation: Cherwell Scientific Publ., 15 Auburn Pl., Brookline MA 02146 Contact_Phone: +44 865 784 800 (international number of the headquarters) Contact_Fax: +44 865 784 801 (international number of the headquarters) Contact_Phone: (617) 277 4200 Contact_Fax: (617) 739 4836 Contact_Email: Cherwell (at) AppleLink.apple.com From ??? (at) ??? Sat Oct 30 14:00:00 1993 Subject: Mac Catalyst Program_Name: Catalyst Program_Version: Program_Date: Topic: Bibliographic_Ref: MacWorld Feb 1993, p 123 Input_Format: Output_Format: Molecular_Model: Output_Type: Operating_System: Mac Computer_Type: Macintosh Hardware_Requested: Hardware_Supported: Graphic_Library: Distribution_Method: Ftp_Site: Ftp_Directory: Price_Academic: Price_Private: Contact_Affiliation: BioCAD Contact_Name: Valerie Lambert Contact_Phone: Contact_Fax:+1-415-903-3900 Contact_Email: From ??? (at) ??? Sat Oct 30 14:00:00 1993 Subject: PC CHEMVISION Program_Name: ChemVision Program_Version: Program_Date: Topic: Bibliographic_Ref: Input_Format: Output_Format: Molecular_Model: Output_Type: Operating_System: Windows 3.0 Computer_Type: PC Hardware_Requested: Hardware_Supported: Graphic_Library: Distribution_Method: Ftp_Site: Ftp_Directory: Price_Academic: Price_Private: Contact_Affiliation: Molecular Arts Corporation Contact_Name: Contact_Phone: +1-714-634-8100 Contact_Fax: 1-714-634-1999 Contact_Email: From ??? (at) ??? Sat Oct 30 14:00:00 1993 Subject: Mac PC CHEM-X Program_Name: Chem-X Program_Version: Program_Date: Topic: Bibliographic_Ref: Input_Format: Output_Format: Molecular_Model: Output_Type: Operating_System: Computer_Type: Hardware_Requested: Hardware_Supported: Graphic_Library: Distribution_Method: Ftp_Site: Ftp_Directory: Price_Academic: Price_Private: Contact_Affiliation: Chemical Design Inc. Contact_Name: Contact_Phone: +1-201-529-3323 Contact_Fax: +1-201-529-2443 Contact_Email: From ??? (at) ??? Tue Sep 28 09:00:14 1993 Date: Tue, 28 Sep 1993 11:56:55 +0000 From: Joel Wolff Subject: Mac CSC_CHEM3D_PLUS Program_Name: CSC_Chem3D_Plus Program_Version: 3.1.1 Program_Date: February 4, 1993 Topic: organic, protein, inorganic, polymer Bibliographic_Ref: None Input_Format: Alchemy, Cartesian_Coordinate (XYZ, fractional_coordinates), CSD, Connection_Table, Internal_Coordinates, MacroModel, MDL_Molfile, MOPAC, PDB, SMD, SYBYL, Molecular_Simulations_Molfile. Output_Format: Alchemy, Cartesian_Coordinate (XYZ, fractional_coordinates), CSD, Connection_Table, Internal_Coordinates, MacroModel, MDL Molfile, MOPAC, PDB, SMD, SYBYL, Molecular_Simulations_Molfile, ROSDAL. Molecular_Model: wire, ball_and_stick, cylindrical_bonds, space_filling Output_Type: display, PostScript, PICT, PICS, EPS, QuickTime Operating_System: Macintosh_6.0.5_or_greater Computer_Type: Macintosh Hardware_Requested: math coprocessor needed for MM2 and molecular dynamics calculations Hardware_Supported: Graphic_Library: Distribution_Method: commercial Ftp_Site: Ftp_Directory: Price_Academic: $595 (Quantity discounts available) Price_Private: $995 (Quantity discounts available) Contact_Affiliation: Cambridge Scientific Computing Contact_Name: David Auerbach Contact_Phone: 1-617-491-6862 Contact_Fax: 1-617-491-8208 Contact_Email: info (at) camsci.com From ??? (at) ??? Sat Oct 30 14:00:00 1993 Subject: Unix FLEX Program_Name: Program_Version: Program_Date: Topic: Bibliographic_Ref: Input_Format: Output_Format: Molecular_Model: Output_Type: Operating_System: Computer_Type: Sun, DEC, and Stardent Hardware_Requested: Hardware_Supported: Graphic_Library: Distribution_Method: Ftp_Site: perutz.scripps.edu [137.131.152.27] Ftp_Directory: pub/flex Price_Academic: Price_Private: Contact_Affiliation: The Scripps Research Institute, La Jolla, CA Contact_Name: Michael Pique Contact_Phone: Contact_Fax: Contact_Email: From ??? (at) ??? Sat Oct 30 14:00:00 1993 Subject: FRODO Program_Name: Frodo Program_Version: Program_Date: Topic: proteins Bibliographic_Ref: Input_Format: Output_Format: Molecular_Model: Output_Type: Operating_System: Computer_Type: Hardware_Requested: Hardware_Supported: Graphic_Library: Distribution_Method: Ftp_Site: Ftp_Directory: Price_Academic: Price_Private: Contact_Affiliation: Contact_Name: Contact_Phone: Contact_Fax: Contact_Email: From ??? (at) ??? Sat Oct 30 14:00:00 1993 From: slee (at) hyper.com (Thomas Slee) Subject: PC HYPERCHEM Release 3 Date: Fri, 12 Nov 1993 09:45:30 -0500 Program_Name: HyperChem Program_Version: 3 Program_Date: March 1993 Topic: simple_molecule, drug, protein, inorganic, ... Bibliographic_Ref: None, but several reviews if you are interested. Input_Format: PDB, MOPAC, HyperChem Input (HIN), MDL MOL, ISIS Sketch, Tripos Sybyl Output_Format: PDB, MOPAC, HyperChem Input (HIN), MDL MOL, ISIS Sketch, Tripos Sybyl Molecular_Model: wire, stick, CPK, ribbon Output_Type: display, metafile(WMF), bitmap (BMP), all Windows printer drivers includes postscript, HP, etc.) Operating_System: Windows, ... Computer_Type: PC Hardware_Requested: 386 or higher coprocessor, 4Mb RAM, 10 MB hard disk, VGA or higher display. Graphics Library: none Distribution_Method: commercial Ftp_Site: none Ftp_Directory:none Price_Academic: $1200 (suggested) US Price_Private: $2500 (suggested) US Contact_Affiliation: Autodesk, Inc. Contact_Name: none Contact_Phone: 1-800-424-9737 (N. America), Switzerland 41-38-337637 (Europe) Contact_Fax: 415-331-8093 (N. AMerica) 41-38-338815 (Europe) Contact_Email: hyperchem-request (at) autodesk.com From ??? (at) ??? Sat Oct 30 14:00:00 1993 Date: Tue, 1 Mar 94 21:49:48 -0800 From: clive (at) biosym.com (Clive Freeman) Subject: SGI IBM RS/6000 INSIGHT II Program_Name: Insight II Program_Version: 2.3.0 Program_Date: December 1993 Topic: Simple_Molecule, Drug, Crystal, Polymer, Protein, Inorganic, Biopolymer Topic: Molecular Mechanics, Semi Empirical Quantum Mechanics, ab initio Quantum Mechanics Topic: Molecular Dynamics, Model Building, Crystallography, Solvation, Topic: NMR Analysis & Refinement, Sample Characterization, Powder Diffraction, Topic: Single Crystal Diffraction, Fiber Diffraction, 29Si NMR, EXAFS Simulation, Topic: Rietveld Refinement, Model Building, IR Simulation Topic: Crystallite Morphology, Born Model Calculation, Reaction Kinetics Topic: 2d-3d Database Conversion, Small Molecule Analysis, Structure Activity Relationships Topic: Protein Homology Modelling, Receptor Site Analysis, Open Interface Input_Format: PDB, CSD, XYZ, MOPAC, BIOSYM, MDL, SYBIL MOL2, USER DEFINED Output_Format: PDB, CSD, XYZ, MOPAC, SYBIL MOL2, MDL, USER DEFINED Molecular_Model: wire, stick, stick_and_ball, CPK, ribbon, alpha_trace, generalized polyhedra Output_Type: display, PostScript, HPGL, PICT, Encapsulated PostScript Operating_System: Unix Computer_Type: IBM RS/6000, SGI Hardware_Requested: flexible Hardware_Supported: stereo_display, dials Graphic_Library: GL, X11 Distribution_Method: commercial Ftp_Site: no Ftp_Directory: no Price_Academic: configuration dependent Price_Private: configuration dependent Contact_Affiliation: BIOSYM's Catalysis and Sorption Project Contact_Name: Clive Freeman Contact_Phone: +1-619-458-9990 (international number of the headquarters) Contact_Fax: +1-619-458-0136 Contact_Email: clive (at) biosym.com From ??? (at) ??? Tue Sep 28 08:38:53 1993 Date: Tue, 22 Feb 94 12:24 GMT From: "CBAS25 ::P_BLADON ::CBAS25" Subject: SGI INTERCHEM Program_Name: INTERCHEM Program_Version: Version 5.8 Program_Date: February 1994 Topic: simple_molecule, drug, crystal, protein, nucleic acid, inorganic Bibliographic_Ref: QCPE_Bulletin, Volume_13,1993,p.1 Input_Format: PDB, CSD, XYZ, MOPAC, Gamess-UK, Interchem, Input_Format: Sybyl, Insight, MDL-mol Input_Format: Structure_building, Protein_Sequence Output_Format: PDB, CSD, XYZ, MOPAC, Gamess-UK, Interchem, Sybyl, Insight Molecular_Model: wire, stick, stick_and_ball, CPK, ribbon, alpha_trace, Molecular_Model: Red_Green_Stereo_options Output_Type: display, SGI-rgb Operating_System: Unix (Irix 4.0.x) Computer_Type: SGI-4D20/25/35, SGI-Indigo, SGI-Indigo-2, SGI-Indy Hardware_Requested: Screen_resolution_1280x1024 Graphic_Library: GL Distribution_Method: via QCPE or from Peter Bladon Price_Academic: $400 Price_Private: $2000 Contact_Affiliation: University_of_Strathclyde, Glasgow, Scotland, G66 4HX Contact_Name: Peter Bladon Contact_Phone: +44-41-776-1718 Contact_Fax: +44-41-776-1718 Contact_Email: cbas25 (at) uk.ac.strathclyde.vaxa From ??? (at) ??? Tue Nov 09 12:09:57 1993 From: hilary (at) california.sandia.gov (Hilary Jones) Subject: Mac MACATOMS 3.3.0 Date: Tue, 9 Nov 1993 11:11:45 -0800 (PST) Program_Name: MacAtoms Program_Version: 3.3.0 Program_Date: 10/24/93 Topic: solids, crystals, molecules .... Bibliographic_Ref: Input_Format: MacAtoms (x,y,z) Output_Format: MacAtoms (x,y,z) Molecular_Model: ball sans stick Output_Type: display, PostScript, PICT Operating_System: Mac (System 4.1 or later) Computer_Type: Macintosh Hardware_Requested: none Hardware_Supported: All models of Macintosh Graphic_Library: QuickDraw (preferably color QuickDraw) Distribution_Method: freeware Ftp_Site: none Ftp_Directory: none Price_Academic: free Price_Private: free Contact_Affiliation: Sandia National Labs, California Contact_Name: Hilary D. Jones Contact_Phone: (510) 294-2892, (510) 837-8958 Contact_Fax: (510) 294-1225 Contact_Email: hilary (at) ca.sandia.gov From ??? (at) ??? Sat Oct 30 14:00:00 1993 Subject: Mac MACMAGE Program_Name: Program_Version: Program_Date: Topic: Bibliographic_Ref: Input_Format: Output_Format: Molecular_Model: Output_Type: Operating_System: Computer_Type: Hardware_Requested: Hardware_Supported: Graphic_Library: Distribution_Method: Ftp_Site: Ftp_Directory: Price_Academic: Price_Private: Contact_Affiliation: Contact_Name: Contact_Phone: Contact_Fax: Contact_Email: From ??? (at) ??? Sat Oct 30 14:00:00 1993 Subject: Mac MACMIMIC Program_Name:MacMimic Program_Version: Program_Date: Topic: Bibliographic_Ref: Input_Format: Output_Format: Molecular_Model: Output_Type: Operating_System: Computer_Type: Hardware_Requested: Hardware_Supported: Graphic_Library: Distribution_Method: Ftp_Site: Ftp_Directory: Price_Academic: Price_Private: Contact_Affiliation: Instar, Ideon, Lund, Sweden S220-00 Contact_Name: Contact_Phone: Contact_Fax: Contact_Email: From ??? (at) ??? Fri Oct 29 17:41:27 1993 Date: Fri, 29 Oct 1993 15:51:37 CST Subject: Mac MACMOLECULE Program_Name: MacMolecule Operating_System: Mac Computer_Type: Macintosh Contact_Affiliation: Univ of Arizona From ??? (at) ??? Fri Oct 29 17:41:27 1993 Date: Fri, 29 Oct 1993 15:51:37 CST Subject: Mac MACORTEP Program_Name: MacORTEP Operating_System: Mac Computer_Type: Macintosh Contact_Affiliation: Univ of Paris val de Marne Price_Academic: Free From ??? (at) ??? Mon Nov 08 11:27:52 1993 From: shenkin (at) still3.chem.columbia.edu (Peter Shenkin) Subject: SGI IBM RS/6000 MACROMODEL Program_Name: MacroModel Program_Version: 4.0 Program_Date: July 1993 (annual updates) Topic: simple_molecule, drug, protein, polynucleotide Bibliographic_Ref: F. Mohamadi et al, J. Comput. Chem., 11, 440 (1990) Input_Format: macromodel, PDB Output_Format: PDB, macromodel Molecular_Model: wire, stick_and_ball, polytube, CPK, alpha_trace, ... Output_Type: display, PostScript Operating_System: Unix (IRIX, AIX) Computer_Type: IBM RS/6000, SGI, (Cray, Convex for back-end) Hardware_Requested: Hardware_Supported: SGI: all graphics boards, hardwarestereo; IBM: sabine & gt4x Graphic_Library: X/Motif (local or remote); GL (local); DGL (remote, SGI only) Distribution_Method: academic through Columbia, commercial through DCG Ftp_Site: Ftp_Directory: Price_Academic: $US 750 Price_Private: Sliding scale; inquire Distr. Chem. Graphics, (215)885-3706 Contact_Affiliation: Columbia University Contact_Name: Ms. Joan Q. Horgan Contact_Phone: (212) 854-8665 Contact_Fax: (212) 854-5429 or 678-9039 Contact_Email: technical: mmod (at) still3.chem.columbia.edu; ordering: sl1joan (at) still3.chem.columbia.edu From ??? (at) ??? Sat Oct 30 14:00:00 1993 Subject: Unix MIDASPLUS From: pett (at) cgl.ucsf.EDU Date: Thu, 24 Feb 94 11:34:44 -0800 Subject: Unix MidasPlus Program_Name: MidasPlus - Molecular Interactive Display and Simulation Topic: proteins, nucleic acids, drugs Bibliographic_Ref: T.E. Ferrin, C.C. Huang, L.E. Jarvis and R. Langridge, Bibliographic_Ref: "The MIDAS display system", Journal of Molecular Graphics, Bibliographic_Ref: Vol 6, No 1, pp 13-27 (1988). Bibliographic_Ref: C.C. Huang, E.F. Pettersen, T.E. Klein, T.E. Ferrin and R. Langridge, Bibliographic_Ref: "Conic: A fast renderer for space-filling molecules with shadows", Bibliographic_Ref: Journal of Molecular Graphics, Vol 9, No 4, pp 230-236 (1991). Bibliographic_Ref: T.E. Ferrin, G.S. Couch, C.C. Huang, E.F. Pettersen and R. Langridge, Bibliographic_Ref: "An Affordable Approach to Interactive Desktop Molecular Modeling", Bibliographic_Ref: Journal of Molecular Graphics, Vol 9, No 1, pp 27-32,37-38 (1991). Input_Format: PDB Output_Format: PDB Molecular_Model: wire, stick, stick_and_ball, CPK, ribbon Output_Type: display, PostScript, SGI "Image File" Operating_System: Unix Computer_Type: SGI (all models), DECstation 5000, DEC Alpha, NeXTstation Hardware_Supported: crystal eyes, spaceball Graphic_Library: GL, OpenGL, or NextStep Distribution_Method: Licensed through the Regents of the University of California Price_Academic: $350 Price_Private: contact Contact_Affiliation: Computer Graphics Laboratory Contact_Affiliation: University of California, San Francisco Contact_Name: MidasPlus distribution coordinator Contact_Phone: 415-476-5128 Contact_Fax: 415-476-0866 Contact_Email: midasplus (at) cgl.ucsf.edu From ??? (at) ??? Wed Sep 29 12:57:55 1993 Date: 29 Sep 93 14:37:37 EDT From: "100012.1163 (at) compuserve.com" <100012.1163 (at) CompuServe.COM> Subject: PC MOBY Program_Name: MOBY -Molecular Modelling on the PC Program_Version: 1.5 Program_Date: June 1993 Topic: Quantum_Chemistry, Molecular_Dynamics, Protein, Topic: Organic_Molecules Bibliographic_Ref: Input_Format: PDB, CSD, MACCS, MOPAC, SCHAKAL, FREE_FORMAT, Input_Format: GAUSSIAN, Internal, Z_Matrix Output_Format: Cartesian, Internal, MOPAC Molecular_Model: wire, stick, stick_and_ball, Van_der_Waals, Molecular_Model: Potential_Surface, HMO Output_Type: display, Screen_dump, PostScript_converter_available Operating_System: MSDOS, (Windows) Computer_Type: 386/387, 486 Hardware_Requested: coprocessor, mouse Hardware_Supported: Graphic_Library: Distribution_Method: commercial Ftp_Site: TRICK.NTP.SPRINGER.DE [192.129.24.12] Ftp_Site: for interactive demo Ftp_Directory: /SOFTWARE Price_Academic: ask Price_Private: 50% discount Contact_Affiliation: Springer-Verlag Heidelberg Contact_Name: Dr. Rainer Stumpe Contact_Phone: +49-6221-487310 Contact_Fax: +49-6221-487366 Contact_Email: stumpe (at) spint.compuserve.com From ??? (at) ??? Mon Sep 27 19:02:03 1993 Date: Mon, 27 Sep 93 19:56:39 CDT From: Carlos Simmerling Subject: Unix MOIL-VIEW Program_Name: MOIL-View Program_Version: 7 Program_Date: September_15_1993 Topic: Protein, user_definable_parameters Input_Format: PDB,CRD Molecular_Model: wire, sphere, ribbon, any_combination Output_Type: display, Postscript Operating_System: Unix Computer_Type: IBM RS/6000, SGI Graphic_Library: GL Distribution_Method: public_domain Ftp_Site: 128.248.186.70 Ftp_Directory: dist Contact_Name: Carlos_Simmerling Contact_Affiliation: University_of_IL_at_Chicago Contact_Phone: 1-312-996-4737 Contact_Fax: 1-312-996-0431 Contact_Email: carlos (at) pap.chem.uic.edu From ??? (at) ??? Fri Oct 29 17:41:27 1993 Date: Fri, 29 Oct 1993 15:51:37 CST Subject: Mac MOLECULAR EDITOR Program_Name: Molecular Editor Operating_System: Mac Computer_Type: Macintosh Contact_Affiliation: Intellimation From ??? (at) ??? Mon Nov 08 08:27:10 1993 Date: Mon, 8 Nov 93 10:22:39 +0100 From: flukiger (at) cscs.ch (Peter Fluekiger) Subject: SGI MOLEKEL Program_Name: MOLEKEL Program_Version: 2.1 Program_Date: Summer '93 Topic: organic, inorganic, organometallic, proteins Topic: visualization of computational results (orbitals, density, mep, dynamics) Bibliographic_Ref: CrossCuts 2 (1993), p. 4 (Newsletter of the Swiss Scientific Bibliographic_Ref: Computing Center) Input_Format: PDB, Gaussian-, DeMon-, ExtHuc-, Charmm-, and other output files Output_Format: PDB and surface description files Molecular_Model: wire, stick, stick_and_ball, CPK, surfaces Output_Type: display, SGI-rasterfile Operating_System: Unix Computer_Type: SGI-workstation (from Indy to RE2) Graphic_Library: GL Distribution_Method: commercial, soon a free version with reduced functionality Ftp_Site (for reduced version and images): pobox.cscs.ch (148.187.10.13) Ftp_Directory: /pub/CSCS/graphics/molekel Price_Academic: sFr. 500.- ($ 350.-) Price_Private: sFr. 5000.- ($ 3500.-) Contact_Affiliation: Swiss Scientific Computing Center Contact_Name: Dr. Peter F. Fluekiger Contact_Phone: +41-91-50 82 05 Contact_Fax: +41-91-50 67 11 Contact_Email: flukiger (at) cscs.ch From ??? (at) ??? Sat Oct 30 14:00:00 1993 Subject: MOLSCRIPT Program_Name: Program_Version: Program_Date: Topic: Bibliographic_Ref: Input_Format: PDB Output_Format: Postscript Molecular_Model: Output_Type: Operating_System: Computer_Type: Hardware_Requested: Hardware_Supported: Graphic_Library: Distribution_Method: Ftp_Site: Ftp_Directory: Price_Academic: Price_Private: Contact_Affiliation: University of Cambridge, UK Contact_Name: Dr. Per Kraulis Contact_Phone: +44 223 333 596 Contact_Fax: +44 223 333 345 Contact_Email: pjk19 (at) mbug.bio.cam.ac.uk From ??? (at) ??? Sat Oct 30 14:00:00 1993 Date: Thu, 11 Nov 93 09:35:45 -0600 From: steve (at) ion.rice.edu (Steve Ludtke) Subject: NeXTStep MOLVIEWER Program_Name: MolViewer Program_Version: 0.91 Program_Date: Aug 26, 1993 Topic: simple_molecule, protein, inorganic Input_Format: PDB, Alchemy, MolViewer Output_Format: Alchemy, Hyperchem, MolViewer Molecular_Model: wire, stick, stick_and_ball, CPK Output_Type: display (interactive rotation/modification), PostScript, TIFF Operating_System: NeXTStep Computer_Type: NeXT or NeXTStep on a PC Graphic_Library: Renderman (built into NeXTStep) Distribution_Method: freeware Ftp_Site: ion.rice.edu Ftp_Directory: /pub Price_Academic: n/a Price_Private: n/a Contact_Affiliation: Physics Dept., Rice University Contact_Name: Steve Ludtke Contact_Phone: (713)527-4809 Contact_Fax: Contact_Email: steve (at) ion.rice.edu, stevel (at) alumni.caltech.edu From ??? (at) ??? Sat Oct 30 14:00:00 1993 Subject: MULTI Program_Name: MULTI Program_Version: 3.1 ??? Program_Date: Topic: Bibliographic_Ref: Input_Format: Output_Format: Molecular_Model: Output_Type: Operating_System: Computer_Type: Hardware_Requested: Hardware_Supported: Graphic_Library: Distribution_Method: Ftp_Site: Ftp_Directory: Price_Academic: Price_Private: Contact_Affiliation: NIH ??? Contact_Name: Contact_Phone: Contact_Fax: Contact_Email: From ??? (at) ??? Fri Oct 29 17:41:27 1993 Date: Fri, 29 Oct 1993 15:51:37 CST Subject: Mac NANOVISION Program_Name: NanoVision Operating_System: Mac Computer_Type: Macintosh Contact_Affiliation: American Chemical Society Contact_Phone: +1-202-872-4363 (1-800-227-5558) Contact_Fax:+1-202-872-6067 From ??? (at) ??? Fri Oct 29 17:41:27 1993 Date: Fri, 29 Oct 1993 15:51:37 CST Subject: Mac ORTEP Program_Name: ORTEP Operating_System: Mac Computer_Type: Macintosh Contact_Affiliation: University of Electro-Communications in Tokyo) Price_Academic: Free From ??? (at) ??? Sat Oct 30 14:00:00 1993 Subject: PC PCMAGE Program_Name: PCMAGE Program_Version: Program_Date: Topic: Bibliographic_Ref: Input_Format: Output_Format: Molecular_Model: Output_Type: Operating_System: Computer_Type: Hardware_Requested: Hardware_Supported: Graphic_Library: Distribution_Method: Ftp_Site: Ftp_Directory: Price_Academic: Price_Private: Contact_Affiliation: Contact_Name: Contact_Phone: Contact_Fax: Contact_Email: From ??? (at) ??? Fri Oct 29 17:41:27 1993 Date: Fri, 29 Oct 1993 15:51:37 CST Subject: Mac PCMODEL Program_Name: PCMODEL Operating_System: Mac Computer_Type: Macintosh Contact_Affiliation: Serena Software From ??? (at) ??? Mon Nov 08 10:31:44 1993 Date: Mon, 8 Nov 93 07:10:46 -0500 From: system (at) cuhhca.hhmi.columbia.EDU (Phil Bourne) Subject: Unix PDBVIEW Program_Name: PDBview Program_Version: 1.1 Program_Date: Jul 93 Topic: protein DNA Bibliographic_Ref: CABIOS Pending Input_Format: PDB, Output_Format: None Molecular_Model: stick, alpha_trace, ... Output_Type: display, PostScript Operating_System: Unix Computer_Type: All Unix workstations with X/Motif Hardware_Requested: None Hardware_Supported: None Graphic_Library: X11 Motif Distribution_Method: public_domain Ftp_Site: cuhhca.hhmi.columbia.edu Ftp_Directory: pub/programs/PDB/PDBview Price_Academic: 0 Price_Private: 0 Contact_Affiliation: Columbia University Contact_Name: Philip E. Bourne Contact_Phone: +1-212-305-3657 Contact_Fax: 1-212-305-7379 Contact_Email: system (at) cuhhca.hhmi.columbia.edu From ??? (at) ??? Sat Oct 30 14:00:00 1993 Subject: Mac PROTEIN EXPERT Program_Name: Program_Version: 1.0 Program_Date: Topic: Bibliographic_Ref: Input_Format: Output_Format: Molecular_Model: Output_Type: Operating_System: Computer_Type: Hardware_Requested: Hardware_Supported: Graphic_Library: Distribution_Method: Ftp_Site: Ftp_Directory: Price_Academic: Price_Private: Contact_Affiliation: Halpern Software Inc Contact_Name: Contact_Phone: +1-408-9252-2038 Contact_Fax: Contact_Email: From ??? (at) ??? Sat Oct 30 14:00:00 1993 Date: Sat, 13 Nov 93 12:34:05 -0800 From: swanson (at) proteus.bioeng.washington.edu (Eric Swanson) Subject: SGI PSSHOW Program_Name: PSSHOW Program_Version: 1.5 Program_Date: July 1993 Topic: General molecular graphics Bibliographic_Ref: N/A Input_Format: PDB, CSD, Amber, MAACS, MOPAC, DGEOM, Gaussian, MOL2, Zmat, ... Output_Format: PDB, Amber, MAACS, MOPAC, DGEOM, Gaussian, MOL2, ... Molecular_Model: wire, stick, stick_and_ball, CPK, ribbon, alpha_trace Output_Type: display, PostScript Operating_System: Unix (IRIX 3.x, 4.x) Computer_Type: SGI IRIS, Indigo Hardware_Requested: Hardware_Supported: stereo (Stereographics or Crystal Eyes) Graphic_Library: SGI GL Distribution_Method: commercial Ftp_Site: N/A Ftp_Directory: N/A Price_Academic: inquire Price_Private: inquire Contact_Affiliation: independent Contact_Name: Eric Swanson Contact_Phone: 206-783-7253 Contact_Fax: Contact_Email: swanson (at) proteus.bioeng.washington.edu From ??? (at) ??? Sat Oct 30 14:00:00 1993 Date: 20 Nov 1993 17:02:58 +0000 From: "Don Gregory" Subject: Unix QUANTA Program_Name: Quanta Program_Version: 4.0 Program_Date: Topic: simple_molecule, drug, crystal, polymer, protein, inorganic, ... Topic: Small molecule, drug design, protein, polysaccharide," Topic: nucleic acid, crystallography, NMR structure determination Input_Format / Output_Format: PDB, XPLOR, FDAT, CCDB, MDL, Molecular_Model: Wire, stick, ball & stick, CPK, ribbon, alpha-carbon Molecular_Model: mixed (all of the above in a single picture), Ray Trace Output_Type: display Postscript, HPGL Operating_System: Unix Computer_Type: IBM RS/6000, SGI Indigo, All SGI's; DEC; HP7xx; IBM RS/6000 Hardware_Requested: dials, coprocessor, ... (none) Hardware_Supported: Dials&Buttons, Spaceball Hardware_Supported: Stereo (side_by_side, internal, StereoGraphics) Graphic_Library: GL Distribution_Method: commercial, academic Price_Academic: Price_Private: Contact_Affiliation: Molecular Simulations Inc. Contact_Name: Cathy Terwedow; Marketing Manager Contact_Phone: (617) 229-9800 Contact_Fax: (617) 229-9899 Contact_Email: support (at) msi.com From ??? (at) ??? Mon Nov 08 09:07:33 1993 Date: Mon, 8 Nov 93 15:34:10 GMT From: Roger Sayle Subject: Unix RASMOL Program_Name: RasMol Program_Version: 2.3 Program_Date: 14/10/93 Topic: protein, nucleic acid, drug, simple_molecule, inorganic. Input_Format: PDB, Alchemy Output_Format: PDB, Alchemy Molecular_Model: wire, stick, stick_and_ball, CPK, ribbon, alpha_trace, Molecular_Model: hydrogen bonding and disulphide bridges (stick & wire) Output_Type: display, PostScript, GIF, Sun Rasterfile, PPM, BMP Operating_System: Unix [SunOs, Solaris, IRIX, AIX, HP-UX, RiscOs, OSF/1, Operating_System: Dynix, 386BSD, Linux] Computer_Type: SUN, SGI Mips, DEC Mips, ESV Mips, IBM RS/6000, DEC Alpha, PC, Computer_Type: Sequent Hardware_Supported: dials Graphic_Library: X11 Distribution_Method: public_domain Ftp_Site: ftp.dcs.ed.ac.uk [129.215.160.5] Ftp_Directory: /pub/rasmol Price_Academic: FREE ($40 or 25GBP) Price_Private: FREE ($40 or 25GBP) Contact_Affiliation: University of Edinburgh Contact_Name: Roger Sayle Contact_Phone: +44-31-650-5163 Contact_Fax: +44-31-667-7209 Contact_Email: rasmol (at) dcs.ed.ac.uk From ??? (at) ??? Mon Nov 08 09:07:35 1993 Date: Mon, 8 Nov 93 15:50:44 GMT From: Roger Sayle Subject: PC RASWIN Program_Name: RasWin Program_Version: 2.3 Program_Date: 14/10/93 Topic: protein, nucleic acid, drug, simple_molecule, inorganic. Input_Format: PDB, Alchemy Output_Format: PDB, Alchemy Molecular_Model: wire, stick, stick_and_ball, CPK, ribbon, alpha_trace, Molecular_Model: hydrogen bonding and disulphide bridges (stick & wire) Output_Type: display, PostScript, GIF, Sun Rasterfile, PPM, BMP Operating_System: Microsoft Windows 3.1 Computer_Type: IBM PC Graphic_Library: Microsoft Software Development Kit (SDK) Distribution_Method: public_domain Ftp_Site: ftp.dcs.ed.ac.uk [129.215.160.5] Ftp_Directory: /pub/rasmol Price_Academic: FREE ($40 or 25GBP) Price_Private: FREE ($40 or 25GBP) Contact_Affiliation: University of Edinburgh Contact_Name: Roger Sayle Contact_Phone: +44-31-650-5163 Contact_Fax: +44-31-667-7209 Contact_Email: rasmol (at) dcs.ed.ac.uk From ??? (at) ??? Mon Nov 08 08:29:13 1993 Date: Mon, 8 Nov 93 08:06:54 -0600 From: carson (at) luna.cmc.uab.edu (mike carson) Subject: Unix RIBBONS Program_Name: Ribbons Program_Version: 2.2 Program_Date: Sept93 Topic: molecular display of simple_molecules, proteins, nucleic acids. Bibliographic_Ref: J.Appl.Cryst.(1991) 24:958-961. Input_Format: PDB Output_Format: RGB images Molecular_Model: stick, ball_and_stick, CPK, ribbons Output_Type: SGI *.rgb format (can convert to many others). Operating_System: Unix Computer_Type: SGI, ESV Hardware_Requested: at least 8-bit color Hardware_Supported: stereo_display, ... Graphic_Library: GL, PEX Distribution_Method: commercial through university Ftp_Site: iris.cmc.uab.edu Ftp_Directory: guest/ribbons Price_Academic: $200 Price_Private: $1200 Contact_Affiliation: UAB Center for Macrolmolecular Crystallography Contact_Name: Mike Carson Contact_Phone: 205-934-1983 Contact_Fax: 205-934-0480 Contact_Email: carson (at) luna.cmc.uab.edu From ??? (at) ??? Sat Oct 30 14:00:00 1993 Date: Tue, 1 Mar 1994 08:35:44 +0200 From: Leif.Laaksonen (at) csc.fi Subject: SGI SCARECROW Program_Name: SCARECROW Program_Version: 1.6 Program_Date: December 1993 Topic: Analysis of Molecular Dynamics trajectories and molecular display Bibliographic_Ref: J. Molecular Graphics 10 (1992) 33 Input_Format: Coord - PDB, CHARMM, DISCOVER, AMBER, YASP, MUMOD, GROMOS, Input_Format: HyperChem, MOPAC, GAMESS-output, free format Input_Format: MD trajectory - CHARMM, DISCOVER, AMBER, YASP, MUMOD, GROMOS, Input_Format: HyperChem Output_Format: Coord - Free, CHARMM, Ball&Stick, PDB Output_Format: Data - Ascii Output_Format: Graphics - PostScript Molecular_Model: Stick, ball & stick, CPK, surfaces, mono/stereo Output_Type: Display, PostScript Operating_System: Unix, IRIX Computer_Type: SGI Hardware_Requested: 24 bit planes, Z-buffer Hardware_Supported: Stereo display Graphic_Library: GL Distribution_Method: Contact me Ftp_Site: Ftp_Directory: Price_Academic: Free Price_Private: Contact me Contact_Affiliation: Center for Scientific Computing Contact_Name: Leif Laaksonen Contact_Phone: +358-0-4572378 Contact_Fax: +358-0-4572302 Contact_Email: Leif.Laaksonen (at) csc.fi From ??? (at) ??? Sat Oct 30 14:00:00 1993 From: kell (at) sun1.ruf.uni-freiburg.de (Egbert Keller) Subject: PC Unix SCHAKAL92 Date: Wed, 10 Nov 1993 09:49:31 +0100 (MET) Program_Name: SCHAKAL ("jackal") Program_Version: SCHAKAL 92 Program_Date: March 1992 Topic: molecules, crystal sections + surfaces Topic: "realistic" shading incl. highlights + shadows Topic: (depth dependent) lightness + pseudo-transparency Topic: automatic labelling of atoms, broken bonds Bibliographic_Ref: E. Keller, J. Appl. Crystallogr. 22, 19 (1989) Input_Format: atom names + coordinates, (symmetry), SHELX Output_Format: atom names + coordinates Molecular_Model: wire, ball_and_stick, CPK Output_Type: 8 bit (256 colours) display, HPGL, HP L.Jet III Computer_Type: DOS PC, IBM RS/6000, SGI IRIS + Indigo Computer_Type: DECstation, (VAXstation) Operating_System: MSDOS, UNIX Hardware_Requested: PC: 386/387, 486, VGA or extended VGA Hardware_Supported: HP LaserJet III printer or fully compatible Graphic_Library: UNIX: GL, X11 Distribution_Method: commercial Price_Academic: DM 600-750 (PC), DM 1200 (UNIX) Price_Private: DM 1200-1500 (PC), DM 2400 (UNIX) Contact_Affiliation: Kristallogr. Inst. der Universitaet Contact_Affiliation: Hebelstr. 25, D-79104 Freiburg, Germany Contact_Name: Dr. E. Keller Contact_Phone: +49-761-203-6438 Contact_Fax: +49-761-203-6434 Contact_Email: KELL (at) sun1.ruf.uni-freiburg.de From ??? (at) ??? Sat Oct 30 14:00:00 1993 Subject: Unix SCIAN Program_Name: SciAn Program_Version: Program_Date: Topic: Bibliographic_Ref: Input_Format: XYZ, Gaussian Output_Format: Molecular_Model: Output_Type: Operating_System: Unix Computer_Type: Hardware_Requested: Hardware_Supported: Graphic_Library: Distribution_Method: Ftp_Site: Ftp_Directory: Price_Academic: Price_Private: Contact_Affiliation: Florida State University Contact_Name: Eric Pepke Contact_Phone: Contact_Fax: Contact_Email: From ??? (at) ??? Sat Oct 30 14:00:00 1993 Subject: Unix (SGI, HP, IBM) SPARTAN Program_Name: Spartan Program_Version: 3.0 Program_Date: Aug. 93 Topic: Bibliographic_Ref: Input_Format: Output_Format: Molecular_Model: Output_Type: Operating_System: Computer_Type: Hardware_Requested: Hardware_Supported: Graphic_Library: Distribution_Method: Ftp_Site: Ftp_Directory: Price_Academic: Price_Private: Contact_Affiliation: Wavefunction Inc Contact_Name: Contact_Phone: +1-714-955-2120 Contact_Fax: Contact_Email: From ??? (at) ??? Sat Oct 30 14:00:00 1993 From: Tom Oldfield Date: Tue, 22 Feb 94 10:06:23 GMT Subject: Unix Squid Program_Name: Squid Program_Version: 1.194 Program_Date: 1/1/94 Topic: simple_molecule, drug, polymer, protein, inorganic, DNA, XY-plot Topic: XYZ-plot, Data-processing, Crystallographic Analysis, MD analysis Topic: Cluster analysis, Bibliographic_Ref: J.Mol.Graphics 1992 December Vol 10 pp 247-252 Input_Format: PDB, KARPLUS, GROMOS, AMBER, General Ascii files Output_Format: PDB, KARPLUS, MD-trajectory, General Ascii files Molecular_Model: wire, stick, stick_and_ball, CPK, ribbon, alpha_trace, Molecular_Model: colour, stereo, vectors, labels Output_Type: display, PostScript, HPGL, Xfig, (plot84), user Operating_System: Unix, Windows, VMS Computer_Type: IBM RS/6000, SGI Indigo, VAX (Old), Convex, Sun, Aliant,... Hardware_Requested: Cursor Hardware_Supported: Double buffering Graphic_Library: GL, X11, tektronix, vt100, user Distribution_Method: Academic public_domain, commercial Ftp_Site: yorvic.york.ac.uk Ftp_Directory: guestfpt Price_Academic: Free Price_Private: See Molecular Simulations Inc. Contact_Affiliation: (Private) Molecular Simulations Inc., Contact_Affiliation: (Private) 16 New England Executive Park Contact_Affiliation: (Private) Burlington Contact_Affiliation: (Private) MA 01803-5297 Contact_Affiliation: (Private) Tel 617 229 9800 Contact_Affiliation: (Private) Fax 617 229 9899 Contact_Name: (Academic) Tom Oldfield Contact_Phone: (Academic) ++904 432599 Contact_Fax: Contact_Email: (Academic) oldfield (at) yorvic.york.ac.uk From ??? (at) ??? Fri Oct 08 11:26:53 1993 Date: Tue, 15 Mar 94 11:16:23 EST From: box (at) scisun.sci.ccny.cuny.edu (Vernon G. Box) Subject: PC STR3DI.EXE, Ver. 7.00 Program_Name: STR3DI.EXE, Ver. 7.01 Program_Date: Version 7.01 1994 (Version 1.00 - 1987) Topic: all organic molecular types Bib._Ref.: Heterocycles, 1992, 34, 1631-59 and cited therein Special_Features: Automatically detects pi-systems, localized and delocalized. Special_Features: Molecular Mechanics. Special_Features: Parametrized for n-n, n-sigma, n-pi interactions. Input_Format: XYZ, fractional XYZ, MM2, MMX Output_Format: XYZ, MM2, MMX Molecular_Model: wire, variable wire, wire and ball, space-filled Output_Type: display, screen-dump to printer (Epson) Operating_System: MSDOS Computer_Type: All MSDOS compatibles Program_Size: 130K compiled code. About 384K during execution. Hardware_Needed: No special requirements Hardware_Needed: Can be run efficiently from floppy diskette Hardware_Needed: Math coprocessor advantageous for molecular mechanics Graphics_Library: None Distribution_Method: from author Price_Student: $40.00 Price_Academic: $50.00 Price_Private: $200.00 Price_Info: Prices are quoted in $US add $5.00 for overseas shipping Contact_Name: Vernon G. S. Box Contact_Email: box (at) scisun.sci.ccny.cuny.edu Contact_Email: 75506,2113 (Compuserve) Contact_Phone: 1-212-650-8266, 1-908-561-9081 From ??? (at) ??? Tue Nov 02 14:42:03 1993 Date: Tue, 2 Nov 93 12:30:04 EST From: gene (at) calv2.cray.com (Eugene Fleischmann) Subject: CRAY/SGI/X-Window UNICHEM Program_Name: UniChem Program_Version: 2.1 Program_Date: 11/1/93 Topic: simple_molecule, polymer, inorganic, ... Bibliographic_Ref: Cray Publications APG-5500, APG-5505 Input_Format: UniChem, Cambridge, PDB, XYZ, MDL Molfile, Insight car file Output_Format: UniChem, Cambridge, PDB, XYZ, MDL Molfile, Insight car file Molecular_Model: wire, stick, ball_and_stick, CPK, van der Waals Output_Type: display, print as PostScript, PBM, PICT, GIF, TIFF Operating_System: UNICOS/IRIX/UNIX Computer_Type: Cray EL, X-MP, Y-MP, C90 / SGI (All Workstations) Computer_Type: X-Window System Workstations Hardware_Requested: 32 MB memory, 500 MB disk Hardware_Supported: no additional necessary Graphic_Library: GL, DGL, X11, Motif Distribution_Method: commercial Ftp_Site: none Ftp_Directory: none Price_Academic: platform-dependent Price_Private: platform-dependent Contact_Affiliation: Cray Research, Inc. Contact_Name: Thomas Raeuchle Contact_Phone: 1-800-284-2729 x 33646 Contact_Fax: 1-612-683-3699 Contact_Email: raeuchle (at) gravity.cray.com From ??? (at) ??? Fri Oct 29 08:47:49 1993 Date: Fri, 29 Oct 1993 12:53:15 +0100 From: Gert.Vriend (at) EMBL-Heidelberg.DE Subject: Unix, VMS, POSIX, DOS, LINUX, SUN-OS : WHAT IF Program_Name: WHAT IF Program_Version:4.9 Topic: protein modeling, graphics, structure function databases Bibliographic_Ref:J.Mol.Graph. 8, 1990, 52-56. Input_Format: PDB, GROMOS Output_Format: PDB, GROMOS, etc. Molecular_Model: wire, ribbon, alpha_trace, etc. Output_Type: display, (colour) postscript. Operating_System: Unix, VMS, POSIX, DOS, LINUX, SUN-OS Computer_Type: SGI, IBM-Pc LINUX, IBM-Pc DOS, Evans and Sutherland, SUN, X11. Hardware_Requested: 16 Mbyte RAM, 25 Mbyte Disk space minimally Hardware_Supported: see computer type Graphic_Library: GL, WHAT IF specific GL emulators, E & S language, IBM-Pc graph. Distribution_Method: commercial, but friendly Ftp_Site:ftp.swift.EMBL-Heidelberg.DE will be installed 1-1-94 Ftp_Directory:ftp at above address Price_Academic: $250 Price_Private: $5000 Contact_Affiliation: EMBL Contact_Name: Gert Vriend Contact_Phone: 49-6221-387473 Contact_Fax: 49-6221-387517 Contact_Email: Vriend (at) EMBL-Heidelberg.DE From ??? (at) ??? Sat Oct 30 14:00:00 1993 Subject: XDRAW Program_Name: XDRAW Program_Version: Program_Date: Topic: Bibliographic_Ref: Input_Format: Output_Format: Molecular_Model: Output_Type: Operating_System: Computer_Type: Hardware_Requested: Hardware_Supported: Graphic_Library: Distribution_Method: Ftp_Site: Ftp_Directory: Price_Academic: Price_Private: Contact_Affiliation: Contact_Name: Contact_Phone: Contact_Fax: Contact_Email: From ??? (at) ??? Sat Oct 30 14:00:00 1993 Date: Wed, 30 Mar 1994 15:20:40 -0600 From: doherty (at) msc.edu (David C. Doherty) Subject: Unix XMol Program_Name: XMol Program_Version: 1.3.1 Program_Date: 28 May 1993 Topic: simple_molecule, drug, crystal, polymer, protein, inorganic, ... Bibliographic_Ref:XMol, version 1.3.1, Minnesota Supercomputer Center, Inc.,Minneapolis MN, 1993. Input_Format: XYZ, Mopac, Gaussian92, CHEMLAB-II, Molsim, Alchemy, PDB Output_Format: XYZ, Mopac, Gaussian92, CHEMLAB-II, Molsim, Alchemy, PDB Molecular_Model: ball_and_stick, stick, CPK, ribbon, alpha_trace Output_Type: display, PostScript Operating_System: Irix, Ultrix, AIX, SunOS Computer_Type: IBM RS/6000, SGI Iris/4D, DecStation, Sun3, Sparcstation Graphic_Library: X11/Motif Distribution_Method: Free_via_anonymous_ftp Ftp_Site: ftp.msc.edu Ftp_Directory: pub/xmol Price_Academic: Free Price_Private: Free Contact_Affiliation: Minnesota Supercomputer Center, Inc. Contact_Name: David C. Doherty Contact_Phone: (612)337-3402 Contact_Fax: (612)337-3400 Contact_Email: xmol (at) msc.edu From ??? (at) ??? Sat Oct 30 14:00:00 1993 Subject: XPDB Program_Name: Xpdb Program_Version: Program_Date: Topic: Bibliographic_Ref: Input_Format: Output_Format: Molecular_Model: Output_Type: Operating_System: Computer_Type: Hardware_Requested: Hardware_Supported: Graphic_Library: Distribution_Method: Ftp_Site: Ftp_Directory: Price_Academic: Price_Private: Contact_Affiliation: Centre for High Performance Computing, University of Texas Contact_Name: Mr. Vinod T. Nair Contact_Phone: Contact_Fax: Contact_Email: vtn (at) almach.chpc.utexas.edu From ??? (at) ??? Sat Oct 30 14:00:00 1993 Date: Tue, 22 Feb 94 16:24:00 PST From: dem (at) fourier (Duncan McRee) Subject: Unix XTALVIEW Program_Name: XtalView Program_Version: 2.0 Program_Date: January 1994 Program_Author: Duncan E. McRee, The Scripps Research Institute Topic: simple_molecule, drug, crystal, protein Bibliographic_Ref: McRee, D.E., J. Mol. Graphics, Vol 10, pp. 44-36, 1992. Input_Format: PDB Output_Format: PDB Molecular_Model: wire Output_Type: displays: GL, PostScript Operating_System: Unix Computer_Type: SUN-sparc OS4+, SGI OS4+, DEC ULTRIX4 Computer_Type: (other sites have ported to IBM RS/6000, LINUX, Stellar) Hardware_Requested: screen, mouse, keyboard Hardware_Supported: stereo_display, dials Graphic_Library: PHIGS(DEC), X11(All), GX/GS(SUN), GLX(SGI) Distribution_Method: freeware (for non-profit) Ftp_Site: ftp.sdsc.edu Ftp_Directory: send email to ccms-request (at) sdsc.edu with single line "get xtalview", no subject. Price_Academic: free Price_Private: 500.00 Contact_Name: The Computational Center for Macromolecular Structure (CCMS) Contact_Phone: +1-234-567-8901 (international number of the headquarters) Contact_Email: ccms-help (at) sdsc.edu From ??? (at) ??? Sat Oct 30 14:00:00 1993 Subject: Empty record Program_Name: Program_Version: Program_Date: Topic: Bibliographic_Ref: Input_Format: Output_Format: Molecular_Model: Output_Type: Operating_System: Computer_Type: Hardware_Requested: Hardware_Supported: Graphic_Library: Distribution_Method: Ftp_Site: Ftp_Directory: Price_Academic: Price_Private: Contact_Affiliation: Contact_Name: Contact_Phone: Contact_Fax: Contact_Email: