We are proud to announce the free public availability of MOLMOL, a new
program for display and analysis of macromolecular structures. MOLMOL was
developed as a joint project between BRUKER/Spectrospin and the group of
Prof. Wuthrich at the Institut fuer Molekularbiologie und Biophysik,
ETH Zurich.
The source code and precompiled binaries for some common UNIX
workstations are available from the following URLs:
ftp://ftp.mol.biol.ethz.ch/pub/software/MOLMOLftp://ftp.spectrospin.ch/pub/sag/MOLMOLftp://ftp.bruker.de/pub/bruker/MOLMOLftp://ftp.bruker.com/pub/nmr/mirror.bruker.de/MOLMOL
Please download the file README for further instructions. The legal
information is in the file COPYING supplied with the program, you are
required to read this file and agree with its contents before using
the program.
Further information can be found at:
http://www.mol.biol.ethz.ch/wuthrich/software/molmol/
Following is the abstract from the paper (Journal of Molecular Graphics,
in press):
MOLMOL is a molecular graphics program for display, analysis, and
manipulation of three-dimensional structures of biological macromolecules,
with special emphasis on nuclear magnetic resonance (NMR) solution
structures of proteins and nucleic acids. MOLMOL has a graphical user
interface with menus, dialog boxes and on-line help. The display
possibilities include conventional presentations, as well as novel
schematic drawings, with the option of displaying different presentations
in one view. The covalent molecular structures can be modified by addition
or removal of individual atoms and bonds; the three-dimensional structure
can be manipulated by interactive rotation about individual dihedral angles.
Special efforts were made to allow for appropriate display and analysis of
sets of (typically 20-40) conformers that are conventionally used to
represent the result of a NMR structure determination, using functions for
superimposing sets of conformers, calculation of root mean square distance
(RMSD) values, identification of hydrogen bonds, checking and displaying
violations of NMR constraints, and identification and listing of short
distances between pairs of hydrogen atoms.
--
Reto Koradi (kor at mol.biol.ethz.ch, http://www.mol.biol.ethz.ch/~kor)
