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trying to make ins file from pdb. Always get this error. Even when pdb file has one atom in it.
Traceback (most recent call last):
File "/home/jamesh/projects/pdb2ins/git/pdb2ins/pdb2ins.py", line 3208, in
main()
File "/home/jamesh/projects/pdb2ins/git/pdb2ins/pdb2ins.py", line 3204, in main
Data()
File "/home/jamesh/projects/pdb2ins/git/pdb2ins/pdb2ins.py", line 116, in init
self.joinstrings()
File "/home/jamesh/projects/pdb2ins/git/pdb2ins/pdb2ins.py", line 509, in joinstrings
atomContainerString = self.atomContainer.asShelxString(self.header.getCell())
File "/home/jamesh/projects/pdb2ins/git/pdb2ins/pdb2ins.py", line 2546, in asShelxString
atomStringList.append(atom.asShelxString(self.elementList, cell))
File "/home/jamesh/projects/pdb2ins/git/pdb2ins/pdb2ins.py", line 2885, in asShelxString
tempFactor = self.getTempFactorAsString(cell)
File "/home/jamesh/projects/pdb2ins/git/pdb2ins/pdb2ins.py", line 2764, in getTempFactorAsString
string = '{:6.5f}'.format(self.getUIso())
File "/home/jamesh/projects/pdb2ins/git/pdb2ins/pdb2ins.py", line 2744, in getUIso
return float(self.atomUIso)
TypeError: float() argument must be a string or a number
Actual value of self.atomUIso seems to be None
Any insight?
The text was updated successfully, but these errors were encountered:
trying to make ins file from pdb. Always get this error. Even when pdb file has one atom in it.
Traceback (most recent call last):
File "/home/jamesh/projects/pdb2ins/git/pdb2ins/pdb2ins.py", line 3208, in
main()
File "/home/jamesh/projects/pdb2ins/git/pdb2ins/pdb2ins.py", line 3204, in main
Data()
File "/home/jamesh/projects/pdb2ins/git/pdb2ins/pdb2ins.py", line 116, in init
self.joinstrings()
File "/home/jamesh/projects/pdb2ins/git/pdb2ins/pdb2ins.py", line 509, in joinstrings
atomContainerString = self.atomContainer.asShelxString(self.header.getCell())
File "/home/jamesh/projects/pdb2ins/git/pdb2ins/pdb2ins.py", line 2546, in asShelxString
atomStringList.append(atom.asShelxString(self.elementList, cell))
File "/home/jamesh/projects/pdb2ins/git/pdb2ins/pdb2ins.py", line 2885, in asShelxString
tempFactor = self.getTempFactorAsString(cell)
File "/home/jamesh/projects/pdb2ins/git/pdb2ins/pdb2ins.py", line 2764, in getTempFactorAsString
string = '{:6.5f}'.format(self.getUIso())
File "/home/jamesh/projects/pdb2ins/git/pdb2ins/pdb2ins.py", line 2744, in getUIso
return float(self.atomUIso)
TypeError: float() argument must be a string or a number
Actual value of self.atomUIso seems to be None
Any insight?
The text was updated successfully, but these errors were encountered: