File: pdb_export.py

package info (click to toggle)
mmtk 2.7.9-1
  • links: PTS, VCS
  • area: main
  • in suites: jessie, jessie-kfreebsd
  • size: 11,788 kB
  • ctags: 6,600
  • sloc: python: 18,050; ansic: 12,400; makefile: 129; csh: 3
file content (14 lines) | stat: -rw-r--r-- 445 bytes parent folder | download
1
2
3
4
5
6
7
8
9
10
11
12
13
14
# Conversion of an MMTK trajectory into a sequence of PDB files.
#
# Note: In order to create the trajectory file "rotation.nc" which is
#       read by this example, you must run the example snapshot.py.
#

from MMTK import *
from MMTK.Trajectory import Trajectory

trajectory = Trajectory(None, "rotation.nc")
universe = trajectory.universe

for i, conf in enumerate(trajectory.configuration):
    universe.writeToFile("conf%d.pdb" % i, conf)