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

2 years ago
ATOM 1 C URA 1 1.060 0.013 0.090 1.00 0.00 C
ATOM 2 O URA 1 0.438 0.930 -0.500 1.00 0.00 O
ATOM 3 N URA 1 0.361 -1.090 0.604 1.00 0.00 N
ATOM 4 N1 URA 1 2.453 0.092 0.235 1.00 0.00 N
ATOM 5 H URA 1 -0.624 -0.958 0.653 1.00 0.00 H
ATOM 6 H1 URA 1 0.763 -1.600 1.353 1.00 0.00 H
ATOM 7 H2 URA 1 2.882 0.779 -0.341 1.00 0.00 H
ATOM 8 H3 URA 1 2.966 -0.748 0.355 1.00 0.00 H