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

2 years ago
ATOM 1 C URA 1 1.022 0.070 0.068 1.00 0.00
ATOM 2 O URA 1 0.417 0.965 -0.476 1.00 0.00
ATOM 3 N URA 1 0.398 -0.967 0.698 1.00 0.00
ATOM 4 N1 URA 1 2.385 0.013 0.102 1.00 0.00
ATOM 5 H URA 1 -0.605 -0.976 0.703 1.00 0.00
ATOM 6 H1 URA 1 0.893 -1.712 1.150 1.00 0.00
ATOM 7 H2 URA 1 2.896 0.751 -0.346 1.00 0.00
ATOM 8 H3 URA 1 2.892 -0.726 0.551 1.00 0.00
TER
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