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	Included in psico; This command or function is available from psico, which is a PyMOL extension.
Module	psico.mcsalign

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Did you know...

mcsalign aligns two small-molecule selections based on Maximum-Common-Substructure.

Installation

mcsalign is available from the psico package and requires rdkit and csb.

All dependencies are available from Anaconda Cloud:

conda install -c schrodinger pymol
conda install -c schrodinger pymol-psico
conda install -c rdkit rdkit
conda install -c speleo3 csb

mcsalign mobile, target [, mobile_state [, target_state
    [, cycles [, timeout [, method ]]]]]

mobile = str: atom selection of mobile object
target = str: atom selection of target object
mobile_state = int: object state of mobile selection {default: -1 = current state}
target_state = int: object state of target selection {default: -1 = current state}
cycles = int: number of weight-refinement iterations for weighted RMS fitting {default: 5}
timeout ..→

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