How to create model using a user input template.pdb file

[Mayjig]

My script is this:

import requested modules

from PANDORA import Target
from PANDORA import Pandora
from PANDORA import Database
from PANDORA import Template

#db = Database.load()

template = Template(id='1AKJ',
allele_type='HLA-A*02:01',
MHC_class='I',
peptide='ILKEPVHGV',
pdb_path='/data2/bej22/projects/PANDORA/receptor/1AKJ.pdb')
#G_domain_span=[(1,180)])

B. Create Target object

target = Target(id = '1T7I',
MHC_class='I',
allele_type = 'HLA-A*02:01',
peptide = 'ALWGVFPVL',
anchors = [2,9],
templates=template)

C. Perform modelling

case = Pandora.Pandora(target,template=template)

Why I got an empty 1T7I folder

[DarioMarzella]

Hi @Mayjig , thanks for posting this issue and sorry for the late reply.

First of all, is it just a copy-pasting error or there is no "case.model()" at the end of your script? If that's the case, PANDORA will generate the empty folder when you create the target object but won't fill it because you didn't ask for any modeling to be performed.

In case instead it was only a copy-paste error, do you have by any chance a log of the run or an error message with it?