README.md 235 Bytes
Newer Older
Berk Onat's avatar
Berk Onat committed
1
#pymolfile
Berk Onat's avatar
Berk Onat committed
2
3
4
5
6
7
8
9
10
11
12
13
14

Usage example:

import pymolfile

molfile = pymolfile.OpenMolfile('test/ala3.pdb')

print(molfile.topology.structure)
print(molfile.topology.bonds)
print(molfile.topology.angles)

molfile_traj = molfile.trajectory.iread()