Volume Overlap Matrix

Calculates a matrix of overlapping volumes between structures. Volumes are computed by treating each molecule as a set of atomic spheres.

Backend implementation

utilities/phase_volCalc
The command line tool phase_volCalc is used to implement this node.

Input Ports

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First set of molecules in Maestro format
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Second set of molecules in Maestro format

Output Ports

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Output matrix in Table format

Views

Std output/error of phase_volCalc
Std output/error of phase_volCalc

Workflows

Links

Developers

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