[modeller_usage] _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.

[Rana Rehan Khalid <ray.binm AT gmail.com>]

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