CCL:G: Mol2mol 5.5 available
- From: "mol2mol" <mol2mol2006|interware.hu>
- Subject: CCL:G: Mol2mol 5.5 available
- Date: Mon, 30 Jan 2006 21:22:16 +0100
Sent to CCL by: "mol2mol" [mol2mol2006(a)interware.hu]
Dear CCL Members,
The new 5.5.0 version of the molecule file conversion,
manipulation and utility program Mol2Mol is now available
from http://web.interware.hu/frenzy/mol2mol as trial or
shareware version.
The current version of Mol2Mol recognizes, and interconverts
about 50 different file formats (including subtypes). By entering
a format string practically every Cartesian or MOPAC type Z matrix
formats can be out/inputted (even in polar coordinates).
It can slice multiple structural files to single ones (such
as PDB models or MDL SD files to single ones) and vice versa
in several variations. Support for PDB Chime subformat
(with 1-2-3 bonds). Many molecular utilities.
**New in Mol2mol 5.5:**
- New file types:
Molden format (read)
Turbomole input format (read) and *.cosmo output (read)
(feedbacks are wellcomed)
- Gamess and Q-Chem input files are now recognized as normal
files, and they can be copied and inputted via the clipboard, too.
- User defined input/output formats: now 16-16 format strings can
be defined and saved, respectively, and recall or edit later. This
can be very handy when coordinates should be cut and paste
from e.g. e-mails or unsupported files to Mol2mol.
- Background color can be set to any color now.
- Several small corrections, bug fixes were also made.
**In the previous version Mol2Mol 5.4:**
- Input of Gaussian output files (now recognized automatically);
- Input of Gamess output files (now recognized automatically);
(the structures one by one or in browse mode (with charges added))
- Support has been added for the Jmol java applet: MDL mol, XMOL xyz
and HyperChem hin files can be written as a javascript
variable for using them as inline molecules in html files.
Mol2mol is a very handy set of tools for everybody dealing with
molecular modelling.
It is impossible to write here all of the features of Mol2Mol,
but have a look at its home page:
http://web.interware.hu/frenzy/mol2mol
e-mail: mol2mol2006 {at} interware.hu
POV-Ray fans may also have a look at:
http://dragon.unideb.hu/~gundat/povraya.htm
The program is available as 30 days unrestricted trial version or
as shareware version.