README.md 250 Bytes
Newer Older
Berk Onat's avatar
Berk Onat committed
1
# pymolfile
Berk Onat's avatar
Berk Onat committed
2
3
4

Usage example:

Berk Onat's avatar
Berk Onat committed
5
```python
Berk Onat's avatar
Berk Onat committed
6
7
8
9
10
11
12
13
14
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()
Berk Onat's avatar
Berk Onat committed
15
```
Berk Onat's avatar
Berk Onat committed
16