A series of Python3 script to lower the barrier of computing and simulating molecular and material systems.
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Topics must start with a letter or number, can include dashes ('-') and can be up to 35 characters long.
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ATOM 1 O SLV 1 1.050 -0.083 -0.044 1.00 0.00 O |
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ATOM 2 H SLV 0 2.010 -0.034 -0.041 1.00 0.00 H |
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ATOM 3 H1 SLV 0 0.778 0.838 0.014 1.00 0.00 H
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