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

Re: [modeller_usage] help--model_ini.py



jinlian05@lzu.cn wrote:
When I use my initial model to build the structure, it appears some erros, the
following is the scripts and log file:
...
rdpdb___303E> No atoms were read from the specified input PDB file, since the
              starting residue number and/or chain id in MODEL_SEGMENT (or
              the alignment file header) was not found;
              requested starting position: residue number " ", chain " "
When you provide an initial model, as you have done here, Modeller uses 
the information in the alignment file header to read it in. (For 
example, your initial model may be a multi-chain crystal structure, of 
which you're building only one chain.) So just edit your alignment file 
to add a starting residue number - for example, the alignment.ali file 
provided in examples/automodel/ has the following header:
sequence:1fdx:1    : :54   : :ferredoxin:Peptococcus aerogenes: 2.00:-1.00
which instructs Modeller to read residues 1 through 54 from the initial model file.
	Ben Webb, Modeller Caretaker
--
modeller-care@salilab.org             http://www.salilab.org/modeller/
Modeller mail list: http://salilab.org/mailman/listinfo/modeller_usage