Hello,
I am trying to use the following script to fill small regions of a pdf:
from modeller import * from modeller.scripts import complete_pdb
log.verbose() env = Environ()
env.libs.topology.read(file='$(LIB)/top_heav.lib') # read topology env.libs.parameters.read(file='$(LIB)/par.lib') # read parameters env.io.atom_files_directory =['.']
m=complete_pdb(env, ‘innput.pdb') m.write(file="output.pdb")
My problem is that at the end, the input and output are the same. I missed a step? Would you have any advice to solve my problem?
Thanks in advance,
Hocine El Khaoudi Enyoury
On 2/18/22 1:46 AM, Hocine EL KHAOUDI ENYOURY wrote: > I am trying to use the following script to fill small regions of a pdf: ... > My problem is that at the end, the input and output are the same. I > missed a step? Would you have any advice to solve my problem?
complete_pdb fills in any missing atoms in each residue (for example to add missing sidechains). It does not change the sequence. To do that, see https://salilab.org/modeller/wiki/Missing%20residues
Ben Webb, Modeller Caretaker
participants (2)
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Hocine EL KHAOUDI ENYOURY
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Modeller Caretaker