rudoroemer / pdb2movie Goto Github PK

When creating new movies, we generate a directory, e.g. Runs/2.0/Mode07-pos/pymol_temp. But this means that movie generation with different "--video pymol.py" settings share that same pymol_temp directory and hence two such jobs will overwrite each other. It would hence be good if each directory pymol_temp would be unique.

Getting a fresh devel and running

aquarius tmp>python pdb2movie/pdb2movie.py 2B5E_FH.pdb

pdb2movie: cleaning the PDB file

Traceback (most recent call last):
File "pdb2movie/pdb2movie.py", line 128, in
clean_file=cleanpdb.cleanPDB(args,exec_folder)
File "/home/physics/phsht/tmp/pdb2movie/cleanpdb.py", line 96, in cleanPDB
inputfile=open(args.pdbfile[0],'r')
IOError: [Errno 2] No such file or directory: '2B5E_FH.pdb'

whle the previous version works. Is this an end-of-line error somewhere?

Originally posted by @RudoRoemer in #6 (comment)

It would be good to have continuous integration enabled to do unit testing of the code. I would use the 2B5E as the example protein.