Skip to content

Commit 530bb79

Browse files
author
“LRossentue”
committed
fix: correct OpenEye parameter documentation in confs.py
1 parent aa1ce2e commit 530bb79

File tree

1 file changed

+3
-3
lines changed

1 file changed

+3
-3
lines changed

molforge/actors/params/confs.py

Lines changed: 3 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -78,13 +78,13 @@ class GenerateConfsParams(BaseParams):
7878
"""Number of MPI processes, -1 = auto-detect (OpenEye)"""
7979

8080
strict: bool = True
81-
"""Use strict generation mode (OpenEye)"""
81+
"""Only process molecules with complete (stereochemistry) information (OpenEye)"""
8282

8383
flipper: bool = False
84-
"""Enable nitrogen/amide flipping (OpenEye)"""
84+
"""Enable unassigned stereo-isomer flipping (OpenEye)"""
8585

8686
flipper_warts: bool = False
87-
"""Generate additional stereoisomers for problematic cases (OpenEye)"""
87+
"""Add suffix to flipped stereoisomers names (OpenEye)"""
8888

8989
flipper_maxcenters: int = 4
9090
"""Maximum stereocenters to enumerate with flipper (OpenEye)"""

0 commit comments

Comments
 (0)