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Difference between revisions of "TCONCOORD"
(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...) |
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1) You need a working gromacs installation (ftp://ftp.gromacs.org/pub/gromacs/gromacs-3.3.3.tar.gz) | 1) You need a working gromacs installation (ftp://ftp.gromacs.org/pub/gromacs/gromacs-3.3.3.tar.gz) | ||
| − | 2) the tCONCOORD binaries (http:// | + | 2) the tCONCOORD binaries (http://wwwuser.gwdg.de/~dseelig/tconcoord.html) |
| − | 3) and the plugin itself (http:// | + | 3) and the plugin itself (http://wwwuser.gwdg.de/~dseelig/cncplugin.html) |
== Author == | == Author == | ||
Revision as of 19:19, 8 January 2010
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://wwwuser.gwdg.de/~dseelig/tconcoord.html)
3) and the plugin itself (http://wwwuser.gwdg.de/~dseelig/cncplugin.html)