[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Re: [modeller_usage] make_chains problem



Nicolas Fusseder wrote:
When I run my make_chains.py script to generate a .chn file from a pdb
file I have been encountering an issue. It works perfectly for pdb files
where the chains are denoted as letters (A, B, C, D, ...) but pdb files
where numerics are used to denote chains (1, 2, 3, 4, ...) no .chn file
output.

Below is the make_chains.py script I have been using:

--------------------------------------------------
env = environ()
mdl = model(env, file='c:/pdb/pdb1d3e.ent')
mdl.make_chains(file='1D3E', minimal_chain_length=30, minimal_resolution=4.0,
                minimal_stdres=30, chop_nonstd_terminii=True,
                structure_types='structureN structureX',
                alignment_format='PIR')

----------------------------------------------------

for pdb id 1d3e (uses numerics): NO .CHN FILE OUTPUT
for pdb id 1e3l (uses letters): WORKS, 2 .chn files are output

It's not because the chains are numeric. The 1d3e structure was solved by Cryo-EM, and you've asked only for NMR or X-ray structures. Add 'structureE' to structure_types.

	Ben Webb, Modeller Caretaker
--
             http://www.salilab.org/modeller/
Modeller mail list: http://salilab.org/mailman/listinfo/modeller_usage