dkratzert / dkratzert/DSR

Choose esd for restraints prior to fragment fit

Open
#2 0 comments 0 reactions 0 assignees View on GitHub
Dominant language
Python
Stars
5
Forks
2
PR merge metrics
No merged PRs in 30d

Description

* let user choose the esd prior to the fragment fit
* Should I apply this to one fragment explicitly? e.g. SADI 0.001 C1_2 C2_2 ...
* Or alternatively as option to apply to all or a single fragment

Contributor guide

No contributing guide indexed for this repository

Assessment

This issue has not been assessed yet.

Get new issues in your inbox

A short digest of beginner-friendly GitHub issues.