A series of Python3 script to lower the barrier of computing and simulating molecular and material systems.
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ATOM 1 N AMK 1 -3.919 2.033 0.000 1.00 0.00 N
ATOM 2 H AMK 1 -2.921 2.036 0.006 1.00 0.00 H
ATOM 3 H1 AMK 1 -4.248 2.967 -0.122 1.00 0.00 H
ATOM 4 H2 AMK 1 -4.249 1.682 0.875 1.00 0.00 H