A series of Python3 script to lower the barrier of computing and simulating molecular and material systems.
You can not select more than 25 topics Topics must start with a letter or number, can include dashes ('-') and can be up to 35 characters long.

4 lines
237 B

2 years ago
ATOM 1 O SLV 1 -3.612 1.676 -0.005 1.00 0.00 O
ATOM 2 H SLV 0 -2.652 1.628 0.007 1.00 0.00 H
ATOM 3 H1 SLV 0 -3.885 0.780 0.213 1.00 0.00 H