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1 parent aa1ce2e commit 530bb79Copy full SHA for 530bb79
molforge/actors/params/confs.py
@@ -78,13 +78,13 @@ class GenerateConfsParams(BaseParams):
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"""Number of MPI processes, -1 = auto-detect (OpenEye)"""
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strict: bool = True
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- """Use strict generation mode (OpenEye)"""
+ """Only process molecules with complete (stereochemistry) information (OpenEye)"""
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flipper: bool = False
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- """Enable nitrogen/amide flipping (OpenEye)"""
+ """Enable unassigned stereo-isomer flipping (OpenEye)"""
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flipper_warts: bool = False
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- """Generate additional stereoisomers for problematic cases (OpenEye)"""
+ """Add suffix to flipped stereoisomers names (OpenEye)"""
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flipper_maxcenters: int = 4
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"""Maximum stereocenters to enumerate with flipper (OpenEye)"""
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