[Chimera-users] Problem in using BondRot

amin at imtech.res.in amin at imtech.res.in
Sat Feb 8 11:03:47 PST 2014


Dear Chimera users, 

I am trying to write a script to change the phi and psi angle of a
peptide. I am trying to adapt the code from
. I am trying to invert the angles so I am multiplying the angles by -1.
My code is 

import chimera 

from chimera import selection, UserError, BondRot, replyobj 

opened = chimera.openModels.open('fun.pdb')
mol = opened[0]
RES_LIST = mol.residues
for res in mol.residues:
 b = str(res.phi)
 if b != 'None':
 c = -1*float(b) 
 atomsMap = res.atomsMap
 N = atomsMap['N'][0]
 CA = atomsMap['CA'][0]
 C = atomsMap['C'][0]
 CAmap = CA.bondsMap
 phiBond = CAmap[N]
 psiBond = CAmap[C]
 phiAnchor = N
 psiAnchor = CA
 phi = BondRot(phiBond)
 phi.setAngle(c, phiAnchor) 

When I run this script i get the error 

phi.setAngle(c, phiAnchor)
AttributeError: '_molecule.BondRot' object has no attribute 'setAngle' 

Can someone please help me with this? 

Warm regards. 

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