Package DSR: Information
Source package: DSR
Version: 219-alt1
Build time: Jan 20, 2019, 03:27 PM in the task #219669
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
Jan. 20, 2019 Denis G. Samsonenko 219-alt1
- new version
Jan. 4, 2018 Denis G. Samsonenko 205-alt1
- initial build for ALT