David Cosgrove

icon indicating a website link http://cozchemix.co.uk

icon company CozChemIx Limited icon location Macclesfield, UK icon location Freelance cheminformatics and computational chemistry software developer.

Results 13 issues of David Cosgrove

Rascal match exact atom type

2 comment

#### Reference Issue No issue #### What does this implement/fix? Explain your changes. The default behaviour in Rascal is to encode bond types as `` where the atomic numbers are...

Highlighted hetero atoms disappear

1 picture > 1000 words, apparently. **To Reproduce** Steps to reproduce the behavior, feel free to paste a bit of Python in here. **Expected behavior** It would be nice to...

bug

Expand function description.

1 comment

#### Reference Issue No issue #### What does this implement/fix? Explain your changes. When an atom is removed, the ENDPTS props need updating to reflect the changes to indices in...

stale