pub_soft/rdkit
3
0
Fork 0
mirror of https://github.com/rdkit/rdkit.git synced 2026-06-05 22:04:27 +08:00
Code Issues Packages Projects Releases Wiki Activity
Files
802ea89ea792d60beba276cb9098983e8a3cbbdb
rdkit/Code/GraphMol/MolTransforms/test1.cpp
David Cosgrove ba261bd68b Coordinates from coordgen are not centered around the origin (#3058) 
* automaticaally move coordGen coords to 0,0.

* Fixed no-centre if coordMap passed, and better tranform method.

* Reomoved extraneous line.

Co-authored-by: David Cosgrove <david@cozchemix.co.uk>
2020-04-02 08:32:09 +02:00

13 KiB
Raw Blame History

View Raw
Reference in New Issue View Git Blame Copy Permalink