pub_soft/rdkit
3
0
Fork 0
mirror of https://github.com/rdkit/rdkit.git synced 2026-06-03 21:44:30 +08:00
Code Issues Packages Projects Releases Wiki Activity

update cartridge docs for #499

Browse Source
This commit is contained in:
Greg Landrum
2015-10-27 04:45:17 +01:00
parent c5fdc44da8
commit 30738cbce5
1 changed files with 2 additions and 0 deletions
Download Patch File Download Diff File Expand all files Collapse all files

2
Docs/Book/Cartridge.md
View File

@@ -542,6 +542,8 @@ There are additional operators defined in the cartridge, but these are used for
- mol\_chi0v(mol) - mol\_chi4v(mol) : returns the ChiXv value for a molecule for X=0-4 (*available from 2012\_01 release*).
- mol\_chi0n(mol) - mol\_chi4n(mol) : returns the ChiXn value for a molecule for X=0-4 (*available from 2012\_01 release*).
- mol\_kappa1(mol) - mol\_kappa3(mol) : returns the kappaX value for a molecule for X=1-3 (*available from 2012\_01 release*).
- mol\_numspiroatoms : returns the number of spiro atoms in a molecule (*available from 2015\_09 release*).
- mol\_numbridgeheadatoms : returns the number of bridgehead atoms in a molecule (*available from 2015\_09 release*).
##### MCS