TCONCOORD

From PyMOLWiki
Revision as of 11:37, 5 May 2008 by Dseelig (talk | contribs) (New page: == Description == tCONCOORD is a program that predicts conformational flexibility based on geometrical considerations. The focus is on proteins, however, most non-protein residues like lig...)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search

Description

tCONCOORD is a program that predicts conformational flexibility based on geometrical considerations. The focus is on proteins, however, most non-protein residues like ligands or other organic compounds are treated correctly. You can use it for:

1) Generating ensembles of protein structures

2) Generating alternate conformations of protein parts (e. g. loops)

3) Generating ensembles of organic compounds.

The PyMOL plugin helps to setup tCONCOORD runs and provides visual support for the structure analysis in tCONCOORD.

Installation

1) You need a working gromacs installation (ftp://ftp.gromacs.org/pub/gromacs/gromacs-3.3.3.tar.gz)

2) the tCONCOORD binaries (http://www.mpibpc.mpg.de/groups/grubmueller/start/people/dseelig/tconcoord.html)

3) and the plugin itself (http://www.mpibpc.mpg.de/groups/grubmueller/start/people/dseelig/cncplugin.html)

Author

Daniel Seeliger