[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
http://plato.cgl.ucsf.edu/pipermail/chimera-users/2005-September/000456.html
. 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.
Amin.
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