A series of Python3 script to lower the barrier of computing and simulating molecular and material systems.
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CHARGE 0.00 ( 0 ) |
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Formula: H3 N1 |
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ATOM 1 N AMK 1 -3.926 2.020 -0.015 -0.396000 21 |
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ATOM 2 H AMK 1 -2.883 2.033 0.001 0.132000 91 |
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ATOM 3 H1 AMK 1 -4.264 3.001 -0.132 0.132000 91 |
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ATOM 4 H2 AMK 1 -4.264 1.664 0.905 0.132000 91 |
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BOND 1 1 2 0 N H |
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BOND 2 1 3 0 N H1 |
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BOND 3 1 4 0 N H2
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