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 N AMK 1 -3.926 2.020 -0.015 1.00 0.00 |
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ATOM 2 H AMK 1 -2.883 2.033 0.001 1.00 0.00 |
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ATOM 3 H1 AMK 1 -4.264 3.001 -0.132 1.00 0.00 |
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ATOM 4 H2 AMK 1 -4.264 1.664 0.905 1.00 0.00 |
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