Hi everyone,
I am trying to cap (with ace and nme) various *.pdbs. I made a folder,
where I have placed *.py file and *.pdb files. When I load the run
following script:
from pymol import cmd, editor
from glob import glob
for filename in glob("*.pdb"):
cmd.load(filename)
editor.attach_amino_acid("resi 10 and name N", 'ace')
editor.attach_amino_acid("resi 11 and name C", 'nme')
It is opening all files but capping only one of the files and giving me
back an error:
Traceback (most recent call last):
File "pyformol.py", line 6, in <module>
editor.attach_amino_acid("resi 10 and name N", 'ace')
File
"C:\Users\Shivani\AppData\Local\Schrodinger\PyMOL2\lib\site-packages\pymol\editor.py",
line 129, in attach_amino_acid
raise pymol.CmdException("invalid connection point: must be one
atom, name N or C.")
pymol.CmdException: Error: invalid connection point: must be one
atom, name N or C.
This seems like a looping error. I haven't been able to find much about
"glob". Could someone suggest an easy way out? I want to create a loop
where ace and nme should be added to all the dipeptides and save them as
separate pdb files.
Shivani
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