-04-15 07:13
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Angle restraints
Dear users,
Validation of a structure showed a deviation in the
angle between atoms NH1-CZ-NE and NH2-CZ-NE in the
arginine residue. Several trials of modification of
the orientation failed to solve this problem. I also
to worry less.
Cheers,
Robbie
Sent from my Windows Phone
From: Kavyashree Manjunath
Sent: 2013-04-15 07:13
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Angle restraints
Dear users,
Validation of a structure showed a deviation in the
angle between atoms
-Original Message-
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of
Kavyashree Manjunath
Sent: Monday, April 15, 2013 9:41 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Angle restraints
Sir,
I used RCSB validation server. Deviations are as given below -
Deviation
you need to worry less.
Cheers,
Robbie
Sent from my Windows Phone
From: Kavyashree Manjunath
Sent: 2013-04-15 07:13
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Angle restraints
Dear users,
Validation of a structure showed a deviation in the
angle
Sir,
Thank you Sir. It worked. I used alternate conformations
which differ by 180 deg around CZ-NE bond. Now there is no
angle deviation error.
Thank you all for useful suggestions.
With Regards
Kavya
what you may have is two alternate conformations - i.e. your current one
and one with the
Dear users,
Validation of a structure showed a deviation in the
angle between atoms NH1-CZ-NE and NH2-CZ-NE in the
arginine residue. Several trials of modification of
the orientation failed to solve this problem. I also
confirmed by deleting the side chain and refining, it
confirmed the presence
