A series of Python3 script to lower the barrier of computing and simulating molecular and material systems.
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11 lines
616 B

2 years ago
COMPND Coordinates from ORCA-job cmmd
AUTHOR GENERATED BY OPEN BABEL 3.1.0
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HETATM 3 H SLV 0 0.758 0.840 0.014 1.00 0.00 H
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END