Dear Users,

I would like to generate a chimeric protein from templates, especially following the tips from FAQ 1 (https://salilab.org/modeller/9.10/manual/node36.html) and also here https://salilab.org/modeller/9.10/manual/node21.html.

To better understand the code and its meaning, I used two simple sequences together as test case.

In pir file, it has:

>P1;2xkmA
structureN:2xkm
GVIDTSAVESAITDGQGDMKAIGGYIVGALVILAVAGLIYSMLRKA
-------------------------------------------*

>P1;4xknE
structureX:4xkh
----------------------------------------------
NGLSEDEALQRALELSLAEAKPQVLSSQEEDDLALAQALSASE*

>P1;test
sequence:test
GVIDTSAVESAITDGQGDMKAIGGYIVGALVILAVAGLIYSMLRKA
NGLSEDEALQRALELSLAEAKPQVLSSQEEDDLALAQALSASE*

and almost the same for ali file.

However, using the build_profile.py, it shows the first error:

_modeller.FileFormatError: parse_pir__E> Invalid PIR file header line: structureN:2xkm

There should be 10 fields separated by colons, :
This line actually contains 2 fields.

Now here comes my question, from the FAQ, I thought it was enough to use two fields for the template?

Even when I put enough colon to make it as 10 fields, it shows the next error that it could not find the PDB file.

To fix this problem, I tried to put the entire information of the structureN (and structureX) line from the pdb_95.pir which I download from the Modeller website,

with the same build_profile.py, the third error comes:

_modeller.StatisticsError: regress_657E> Not enough bins in histogram - cannot calculate statistics, nbins: 1

In the end, I don't understand the exact problem to cause all these errors, did miss something in the pir or ali file? or I used the wrong script.

Hope to hear any suggestions from you.

Best wishes.