Group :: Ciências/Química
RPM: DSR
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A versão atual: 241-alt1
Data da compilação: 17 setembro 2023, 09:44 ( 27.6 weeks ago )
Tamanho:: 18.80 Mb
Home page: https://dkratzert.de/dsr.html
Licença: Beerware
Sumário: DSR - A program for modelling of disordered solvents with SHELXL
Descrição:
Lista dos contribuidores Lista dos rpms provida por esta srpm:
ACL:
Data da compilação: 17 setembro 2023, 09:44 ( 27.6 weeks ago )
Tamanho:: 18.80 Mb
Home page: https://dkratzert.de/dsr.html
Licença: Beerware
Sumário: DSR - A program for modelling of disordered solvents with SHELXL
Descrição:
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
Mantenedor currente: 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
Lista dos contribuidores Lista dos rpms provida por esta srpm:
- DSR