Package DSR: Information
Default inline alert: Version in the repository: 242-alt1
Source package: DSR
Version: 233-alt1
Build time: Apr 30, 2021, 11:34 AM in the task #270999
Category: Sciences/Chemistry
Report package bugHome page: https://www.xs3.uni-freiburg.de/research/dsr
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
Maintainer: Denis G. Samsonenko
Last changed
April 30, 2021 Denis G. Samsonenko 233-alt1
- new version
Nov. 2, 2020 Denis G. Samsonenko 232-alt2
- back to use of internal networkx
April 2, 2020 Denis G. Samsonenko 232-alt1
- new version