[Chimera-users] Problem in using BondRot

[Eric Pettersen]

Hi Amin,
	As Elaine alluded to, the code for changing phi/psi is a lot simpler than what was necessary in 2005.  In particular you can just assign a value to the phi or psi attribute to change it.  Therefore in your script, the loop would just be:

for res in mol.residues:
	if res.phi is not None:
		res.phi = -res.phi

--Eric

	Eric Pettersen
	UCSF Computer Graphics Lab

On Feb 8, 2014, at 11:03 AM, amin at imtech.res.in wrote:

> 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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