Hi Jobi,
Your selection syntax looks correct to me. Would you be willing to
send me your coordinates and data (directly to me, not to the list) so
that I can have a closer look at what is going on?
The version of PHENIX you are using is also quite old, so I would
recommend upgrading to a more recent installer.
Thanks,
Jeff
On Thu, Oct 21, 2010 at 1:49 AM, Jobichen Chacko
Dear All, I am trying to make a custom covalent bond with an inhibitor compound and my protein. Plesae see the attached file for restraints file. But phenix is returning this error. Please help. Sorry: No atom selected: 'chain S and resid 501 and name C7 I am using version1.6-289 Thanks. Jobi
refinement.geometry_restraints.edits {
bond {
action = *add
atom_selection_1 = chain S and resid 501 and name C7
atom_selection_2 = chain A and resid 25 and name SG
distance_ideal = 2.35
sigma = 0.1
slack = None
}
}
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