Greetings,
I am attempting to refine an NMR structure containing phosphoserine residue.
Unfortunately, my attempts fail with the following error -
POWELL: number of degrees of freedom= 23436
%CODANG-ERR: missing angle parameters %%%%%%%%%%%%%%%%%%%%%%%%
target angle value missing.
ATOM1: SEGId="A ", RESId="189 ", NAME="HB1 ", CHEMical="HA "
ATOM2: SEGId="A ", RESId="189 ", NAME="CB ", CHEMical="CH2E"
ATOM3: SEGId="A ", RESId="189 ", NAME="OG ", CHEMical="OHP "
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%CODANG-ERR: missing angle parameters %%%%%%%%%%%%%%%%%%%%%%%%
target angle value missing.
ATOM1: SEGId="A ", RESId="189 ", NAME="HB2 ", CHEMical="HA "
ATOM2: SEGId="A ", RESId="189 ", NAME="CB ", CHEMical="CH2E"
ATOM3: SEGId="A ", RESId="189 ", NAME="OG ", CHEMical="OHP "
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Looking at the parameter file, I see that this angle is defined.
From protein0-4.0.par:
ANGLe HA CH2E OHP $kang {sd= 0.031} 108.6930 ! SEP, as in SER
(GAB 24-MAY-2017)
Can you please provide me some pointers on how to address this error? Any help
is greatly appreciated.
Best regards,
Mukundan.
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