From heysrib@cs1.presby.edu Sun Dec 11 12:19:07 1994 Received: from cs1.presby.edu for heysrib@cs1.presby.edu by www.ccl.net (8.6.9/930601.1506) id LAA25910; Sun, 11 Dec 1994 11:32:59 -0500 Received: by cs1.presby.edu (5.4R3.10/140.2) id AA11504; Sun, 11 Dec 1994 11:33:16 -0500 Date: Sun, 11 Dec 1994 11:33:16 -0400 (EST) From: Eric Sribnick Subject: Looking for an FPU emulator! To: CCL Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Can anyone tell me where I can find an FPU emulator for the macintosh, preferably as shareware on the internet. Thanks! From jbrown@iris7.carb.nist.gov Sun Dec 11 14:19:06 1994 Received: from ENH.NIST.GOV for jbrown@iris7.carb.nist.gov by www.ccl.net (8.6.9/930601.1506) id NAA26915; Sun, 11 Dec 1994 13:37:28 -0500 Received: from iris7.carb.nist.gov by ENH.NIST.GOV (PMDF V4.2-13 #4653) id <01HKIP54JW2O001WLS@ENH.NIST.GOV>; Sun, 11 Dec 1994 13:36:15 EDT Received: by iris7.carb.nist.gov (920330.SGI/920502.SGI) for @enh.nist.gov:chemistry@ccl.net id AA27784; Sun, 11 Dec 94 13:38:21 -0500 Date: Sun, 11 Dec 1994 13:34:52 -0500 (EST) From: "Dr. James Brown" Subject: Re: CCL:Looking for an FPU emulator! In-reply-to: To: Eric Sribnick Cc: CCL Message-id: MIME-version: 1.0 Content-type: TEXT/PLAIN; charset=US-ASCII Content-transfer-encoding: 7BIT On Sun, 11 Dec 1994, Eric Sribnick wrote: > Can anyone tell me where I can find an FPU emulator for the macintosh, > preferably as shareware on the internet. At most of the mac ftp sites (sumex.stanford.edu, etc.) there is the control panel "Software FPU" which works quite well. It's shareware, $10 I think, for 68K and a native version is also available from the author for, I believe, $20. Regards, James Brown Center for Advanced Research in Biotechnology From hinsenk@ERE.UMontreal.CA Sun Dec 11 15:19:07 1994 Received: from condor.CC.UMontreal.CA for hinsenk@ERE.UMontreal.CA by www.ccl.net (8.6.9/930601.1506) id OAA27364; Sun, 11 Dec 1994 14:53:12 -0500 Received: from eole.ERE.UMontreal.CA by condor.CC.UMontreal.CA with SMTP id AA23628 (5.65c/IDA-1.4.4 for chemistry@ccl.net); Sun, 11 Dec 1994 14:51:12 -0500 Received: from cyclone.ERE.UMontreal.CA by eole.ERE.UMontreal.CA (940406.SGI/5.17) id AA23350; Sun, 11 Dec 94 14:51:12 -0500 Received: by cyclone.ERE.UMontreal.CA (940406.SGI/5.17) id AA06453; Sun, 11 Dec 94 14:51:11 -0500 Date: Sun, 11 Dec 94 14:51:11 -0500 From: hinsenk@ERE.UMontreal.CA (Hinsen Konrad) Message-Id: <9412111951.AA06453@cyclone.ERE.UMontreal.CA> To: chemistry@ccl.net Subject: Definition of PDB format Dear Netters, where could I find a definition of the PDB format? I'd like to have a description that is as complete as possible. And of course I would prefer it in electronic form... ------------------------------------------------------------------------------- Konrad Hinsen | E-Mail: hinsenk@ere.umontreal.ca Departement de Chimie | Tel.: +1-514-343-6111 ext. 3953 Universite de Montreal | Fax: +1-514-343-7586 C.P. 6128, succ. A | Deutsch/Esperanto/English/Nederlands/ Montreal (QC) H3C 3J7 | Francais (phase experimentale) ------------------------------------------------------------------------------- From longshot@chem.duke.edu Sun Dec 11 18:19:08 1994 Received: from duke.cs.duke.edu for longshot@chem.duke.edu by www.ccl.net (8.6.9/930601.1506) id RAA28045; Sun, 11 Dec 1994 17:55:34 -0500 Received: from london.chem.duke.edu by duke.cs.duke.edu (5.65/3.10G/4.1.3) id AA03396; Sun, 11 Dec 94 17:55:34 -0500 Received: from canada.chem.duke.edu by london.chem.duke.edu (5.64/1.19LP/4.1.1) id AA11630; Sun, 11 Dec 94 17:55:33 -0500 Received: by canada.chem.duke.edu (5.64/2.12L/4.1) id AA00845; Sun, 11 Dec 94 17:55:32 -0500 Date: Sun, 11 Dec 94 17:55:32 -0500 From: longshot@chem.duke.edu (Brad Isbister) Message-Id: <9412112255.AA00845@canada.chem.duke.edu> To: chemistry@ccl.net Subject: Re: PDB Format Konrad Hinsen writes: >where could I find a definition of the PDB format? I'd like to have >a description that is as complete as possible. And of course I would >prefer it in electronic form... The following description is taken from the RasMol manual, written by Roger Sayle(ros@dcs.ed.ac.uk) PDB Format: as Fortran: FORMAT(6A1,I5,1X,A4,A1,A3,1X,A1,I4,A1,3X,3F8.3,2F6.2,1X,I3) Column: Content: 1-6 'ATOM' or 'HETATM' 7-11 Atom serial number (may have gaps) 13-16 Atom name in IUPAC standard format 17 Alternate location indicator(chain) A,B,C,etc. 18-20 Residue name in IUPAC standard format 23-26 Residue sequence number (order as below) 27 Code for insertions of residues (ie 66A & 66B) 31-38 X coordinate 39-46 Y coordinate 47-54 Z coordinate 55-60 Occupancy 61-66 Temperature Factor 68-70 Footnote number Note that this does not include the format of PDB headers which start with a different set of codes in columns 1-6 are allow unlimited(?) text in columns 7-70. Header codes include TITLE, SOURCE, REF1, REF2, SEQ, and others. Download a few PDB files to get a feel for header information. -Brad Isbister ------------------------------------------------------------------------ Brad Isbister Duke University longshot@chem.duke.edu Department of Chemistry Computational/Biophysical chemistry E.J. Toone group From ch11mh@surrey.ac.uk Sun Dec 11 19:19:23 1994 Received: from mail-server.surrey.ac.uk for ch11mh@surrey.ac.uk by www.ccl.net (8.6.9/930601.1506) id SAA28312; Sun, 11 Dec 1994 18:43:48 -0500 Received: from central.surrey.ac.uk by mail-server.surrey.ac.uk with SMTP (PP); Sun, 11 Dec 1994 23:44:09 +0000 Received: by central.surrey.ac.uk (1.37.109.8/16.2) id AA25058; Sun, 11 Dec 1994 23:43:27 GMT Date: Sun, 11 Dec 1994 23:43:27 +0000 (GMT) From: Mr Martin J Hargreaves To: Hinsen Konrad Cc: chemistry@ccl.net Subject: Re: CCL:Definition of PDB format In-Reply-To: <9412111951.AA06453@cyclone.ERE.UMontreal.CA> Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII On Sun, 11 Dec 1994, Hinsen Konrad wrote: > Dear Netters, > > where could I find a definition of the PDB format? I'd like to have > a description that is as complete as possible. And of course I would > prefer it in electronic form... The document specifying the file format is available via anonymous FTP from www.ccl.net in the directory /pub/chemistry/documents/PDB/PDB_file_format the postscript file is pdbformat.ps and there is also a file called official-pdb-doc.ps, as well as TeX source. Hope this helps, Martin. ---------------------------------------------------------------- | Martin Hargreaves, ch11mh@surrey.ac.uk| | Undergraduate Computational Chemist | | WWW Server Admin http://www.chem.surrey.ac.uk| ----------------------------------------------------------------