Group :: Sciences/Chemistry
RPM: DSR
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Current version: 241-alt1
Build date: 17 september 2023, 09:44 ( 30.9 weeks ago )
Size: 18.80 Mb
Home page: https://dkratzert.de/dsr.html
License: Beerware
Summary: DSR - A program for modelling of disordered solvents with SHELXL
Description:
List of contributors List of rpms provided by this srpm:
ACL:
Build date: 17 september 2023, 09:44 ( 30.9 weeks ago )
Size: 18.80 Mb
Home page: https://dkratzert.de/dsr.html
License: Beerware
Summary: DSR - A program for modelling of disordered solvents with SHELXL
Description:
This program consists of a text database with fragments of molecules and
the DSR program. It acts as a preprocessor for SHELXL .res files. The user
inserts a special command in the SHELXL .res file and the DSR program reads
this information to put a molecule or fragment with the desired atoms on the
position of the target atoms specified by the user. Bond restraints are applied
from the database to the molecule.
Development is on GitHub: https://github.com/dkratzert/dsr
Current maintainer: Denis G. Samsonenko the DSR program. It acts as a preprocessor for SHELXL .res files. The user
inserts a special command in the SHELXL .res file and the DSR program reads
this information to put a molecule or fragment with the desired atoms on the
position of the target atoms specified by the user. Bond restraints are applied
from the database to the molecule.
Development is on GitHub: https://github.com/dkratzert/dsr
List of contributors List of rpms provided by this srpm:
- DSR