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

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