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

ATOM 1 C URA 1 -3.938 0.772 -0.002 1.00 0.00 C
ATOM 2 O URA 1 -3.840 2.024 -0.008 1.00 0.00 O
ATOM 3 N URA 1 -5.194 0.167 -0.151 1.00 0.00 N
ATOM 4 N1 URA 1 -2.790 -0.019 0.153 1.00 0.00 N
ATOM 5 H URA 1 -5.961 0.790 -0.033 1.00 0.00 H
ATOM 6 H1 URA 1 -5.326 -0.748 0.208 1.00 0.00 H
ATOM 7 H2 URA 1 -1.937 0.476 0.030 1.00 0.00 H
ATOM 8 H3 URA 1 -2.802 -0.946 -0.197 1.00 0.00 H