Molecular weight, SPDBV tool

Question

[ashamscsoft]

Is there any option to calculate molecular weight in SPDBV tool? There is a option in pymol tool but i cannot calculate it for complex weight. I uploaded pdb file of a complex in pymol, written from autodock file. I got that file after docking. The error i face when i try to compute complex weight is

CmdLoad: "F:/A/complex.pdb" loaded as "complex". 
Traceback (most recent call last): File "C:\Program Files\PyMOL\PyMOL/modules\pymol\parser.py", line 419, 
    in parse exec(layer.com2+"\n",self.pymol_names,self.pymol_names) \
    File "<string>", line 1, 
    in <module> File "C:\Program Files\PyMOL\PyMOL/modules\pymol\util.py", line 331, \
    in compute_mass result += m.get_mass() 
    File "C:\Program Files\PyMOL\PyMOL/modules\chempy\models.py", line 70, 
    in get_mass sm = sm + a.get_mass() 
    File "C:\Program Files\PyMOL\PyMOL/modules\chempy__init__.py", line 65, 
    in get_mass return atomic_mass[self.symbol] KeyError: 'A'

This is the error im facing. Kindly reply if anyone knows to solve this issue. One more doubt is im getting the molecular weight of protein and ligand separately in pymol. Can we add the weights of protein and ligand for the complex molecular weight?

[Ram]

How did you try in pymol and what's the error you're facing? PyMol allows a lot more programmability than does SPDBV so you might have better luck with PyMol.

[ashamscsoft]

I uploaded pdb file of a complex in pymol, written from autodock file. I got that file after docking. The error i face when i try to compute complex weight is

CmdLoad: "F:/A/complex.pdb" loaded as "complex".
Traceback (most recent call last):
  File "C:\Program Files\PyMOL\\PyMOL/modules\pymol\parser.py", line 419, in parse
    exec(layer.com2+"\n",self.pymol_names,self.pymol_names)
  File "<string>", line 1, in <module>
  File "C:\Program Files\PyMOL\\PyMOL/modules\pymol\util.py", line 331, in compute_mass
    result += m.get_mass()
  File "C:\Program Files\PyMOL\\PyMOL/modules\chempy\models.py", line 70, in get_mass
    sm = sm + a.get_mass()
  File "C:\Program Files\PyMOL\\PyMOL/modules\chempy\__init__.py", line 65, in get_mass
    return atomic_mass[self.symbol]
KeyError: 'A'

This is the error im facing. Kindly reply if anyone knows to solve this issue. One more doubt is im getting the molecular weight of protein and ligand separately in pymol. Can we add the weights of protein and ligand for the complex molecular weight?

[Ram]

Please edit your question and add this information to it.