Re: [ccp4bb] chirality problem

2012-01-09 Thread Phil Evans
riginal Message- >> From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of >> Phil Evans >> Sent: Monday, January 09, 2012 12:54 >> To: CCP4BB@JISCMAIL.AC.UK >> Subject: Re: [ccp4bb] chirality problem >> >> The problem with fixing the nom

Re: [ccp4bb] chirality problem

2012-01-09 Thread Robbie Joosten
bject: Re: [ccp4bb] chirality problem > > The problem with fixing the nomenclature "problems" in Coot is that they are > back again after the next round of refinement (or at least some of them are, > if they are right on the edge of an arbitrary distinction) - indeed irritating Phil &

Re: [ccp4bb] chirality problem

2012-01-09 Thread Phil Evans
The problem with fixing the nomenclature "problems" in Coot is that they are back again after the next round of refinement (or at least some of them are, if they are right on the edge of an arbitrary distinction) - indeed irritating Phil On 9 Jan 2012, at 11:43, Paul Emsley wrote: > On 08/01/12

Re: [ccp4bb] chirality problem

2012-01-09 Thread Paul Emsley
On 08/01/12 10:36, ccp4 wrote: Won't coot fix the nomenclature issue, then you can check whether you have a real chirality problem - eg a squashed flattened VAL.. It will indeed [1]. So Afshan need only read in the file, Press OK and then Save. Robbie and I think that it is more likely tha

Re: [ccp4bb] chirality problem

2012-01-08 Thread ccp4
, and a whole lot of other more interesting hetero >> compounds. >> >> @ Paul, I don't think it will be a CCP4 program that reported the >> problem. >> Does the 'fix nomenclature problems' option in Coot also do VAL and LEU? >> >> Cheers, &g

Re: [ccp4bb] chirality problem

2012-01-06 Thread Katherine Sippel
aul, I don't think it will be a CCP4 program that reported the problem. > Does the 'fix nomenclature problems' option in Coot also do VAL and LEU? > > Cheers, > Robbie > > ------ > Date: Fri, 6 Jan 2012 10:44:58 + > From: pau

Re: [ccp4bb] chirality problem

2012-01-06 Thread Robbie Joosten
omenclature problems' option in Coot also do VAL and LEU? Cheers, Robbie Date: Fri, 6 Jan 2012 10:44:58 + From: paul.ems...@bioch.ox.ac.uk Subject: Re: [ccp4bb] chirality problem To: CCP4BB@JISCMAIL.AC.UK Hi Afshan, This is not the solution if you are right about the problem bei

Re: [ccp4bb] chirality problem

2012-01-06 Thread Paul Emsley
. The problem is still very real to many programs so it should be fixed. Cheers, Robbie Joosten Date: Thu, 5 Jan 2012 02:46:30 -0800 From: afshan...@yahoo.com Subject: [ccp4bb] chirality problem To: CCP4BB@JISCMAIL.AC.UK Dear

Re: [ccp4bb] chirality problem

2012-01-05 Thread Robbie Joosten
2012 02:46:30 -0800 From: afshan...@yahoo.com Subject: [ccp4bb] chirality problem To: CCP4BB@JISCMAIL.AC.UK Dear Users, I am facing difficulties to validate my structure according to PDB server. I have solved my structure and now want to submit in PDB but during validation process i have

[ccp4bb] chirality problem

2012-01-05 Thread Afshan Begum
Dear Users, I am facing difficulties to validate my structure according to PDB server. I have solved my structure and now want to submit in PDB but during validation process i have  some chirality problem specially   VAL and LEU amino acids there are total 18 amino acids which deviated from the