Dear Modeller Users,
I am currently attempting to generate various mutant models using the
MutantBuilder script available at https://github.com/eved1018/MutantBuilder.
I have installed Modeller10.5 for this purpose. However, I am encountering
the following issue:
python3 MutantBuilder.py -pdb complex.pdb -c B
Traceback (most recent call last):
File "/home/rehan/Downloads/MutantBuilder-master/MutantBuilder.py", line
372, in <module>
main()
File "/home/rehan/Downloads/MutantBuilder-master/MutantBuilder.py", line
368, in main
model(pdb, mutants, chain, mutant_name, outfolder)
File "/home/rehan/Downloads/MutantBuilder-master/MutantBuilder.py", line
188, in HomologyModel
mutant_pdb = autoModelPDB(pdb, aln )
File "/home/rehan/Downloads/MutantBuilder-master/MutantBuilder.py", line
204, in autoModelPDB
a.make()
File
"/home/rehan/miniconda3/lib/python3.10/site-packages/modeller/automodel/automodel.py",
line 141, in make
self.homcsr(exit_stage)
File
"/home/rehan/miniconda3/lib/python3.10/site-packages/modeller/automodel/automodel.py",
line 638, in homcsr
self.mkhomcsr(Selection(self), aln)
File
"/home/rehan/miniconda3/lib/python3.10/site-packages/modeller/automodel/automodel.py",
line 716, in mkhomcsr
self.build_charmm_restraints(atmsel, rsr, aln)
File
"/home/rehan/miniconda3/lib/python3.10/site-packages/modeller/automodel/automodel.py",
line 678, in build_charmm_restraints
rsr.make(atmsel, aln=aln, restraint_type=type+'_dihedral',
File
"/home/rehan/miniconda3/lib/python3.10/site-packages/modeller/restraints.py",
line 156, in make
return func(self.__mdl.modpt, edat.modpt, aln.modpt, io.modpt,
_modeller.ModellerError: getpdf__389E> MDT table range is too small. MDT
should be derived with the full range of possible values for the
independent variables.
Could someone please assist me in resolving this problem? Your help would
be greatly appreciated.
Best Wishes
Rehan
Dear Modeller Users,
I am currently attempting to generate various mutant models using the MutantBuilder script available at https://github.com/eved1018/MutantBuilder. I have installed Modeller10.5 for this purpose. However, I am encountering the following issue:
python3 MutantBuilder.py -pdb complex.pdb -c B
Traceback (most recent call last):
 File "/home/rehan/Downloads/MutantBuilder-master/MutantBuilder.py", line 372, in <module>
  main()
 File "/home/rehan/Downloads/MutantBuilder-master/MutantBuilder.py", line 368, in main
  model(pdb, mutants, chain, mutant_name, outfolder)
 File "/home/rehan/Downloads/MutantBuilder-master/MutantBuilder.py", line 188, in HomologyModel
  mutant_pdb = autoModelPDB(pdb, aln )
 File "/home/rehan/Downloads/MutantBuilder-master/MutantBuilder.py", line 204, in autoModelPDB
  a.make()
 File "/home/rehan/miniconda3/lib/python3.10/site-packages/modeller/automodel/automodel.py", line 141, in make
  self.homcsr(exit_stage)
 File "/home/rehan/miniconda3/lib/python3.10/site-packages/modeller/automodel/automodel.py", line 638, in homcsr
  self.mkhomcsr(Selection(self), aln)
 File "/home/rehan/miniconda3/lib/python3.10/site-packages/modeller/automodel/automodel.py", line 716, in mkhomcsr
  self.build_charmm_restraints(atmsel, rsr, aln)
 File "/home/rehan/miniconda3/lib/python3.10/site-packages/modeller/automodel/automodel.py", line 678, in build_charmm_restraints
  rsr.make(atmsel, aln=aln, restraint_type=type+'_dihedral',
 File "/home/rehan/miniconda3/lib/python3.10/site-packages/modeller/restraints.py", line 156, in make
  return func(self.__mdl.modpt, edat.modpt, aln.modpt, io.modpt,
_modeller.ModellerError: getpdf__389E> MDT table range is too small. MDT should be derived with the full range of possible values for the independent variables.
Could someone please assist me in resolving this problem? Your help would be greatly appreciated.
Best Wishes
Rehan