Re: [ccp4bb] refined vs 'others'

2007-11-07 Thread Bernhard Rupp
-Original Message- From: Pavel Afonine [mailto:[EMAIL PROTECTED] Sent: Wednesday, November 07, 2007 3:44 PM To: [EMAIL PROTECTED] Cc: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] refined vs 'others' Hi, > I reran that (same refmac version) but I cannot reproduce the output. &

Re: [ccp4bb] refined vs 'others'

2007-11-07 Thread Pavel Afonine
Hi, I reran that (same refmac version) but I cannot reproduce the output. Of course, you cannot reproduce the output. This is most likely because the H atoms were used internally in all calculations but they were not deposited in PDB (like in most of cases). So, to reproduce the numbers

Re: [ccp4bb] refined vs 'others'

2007-11-07 Thread Bernhard Rupp
All right, one more peculiar question on the subject: If that is true - that > "others" in case means the bonds to the hydrogens added in riding positions during refinement then how comes that in example 2veh the restraint listing does not have 'others' but still says that hydrogens were added?

Re: [ccp4bb] refined vs 'others'

2007-11-04 Thread Garib Murshudov
nhard Rupp Sent: Sunday, November 04, 2007 9:19 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] refined vs 'others' Dear All - wondering about what exactly does REMARK 3 BOND LENGTHS REFINED (A): 2377 ; 0.022 ; 0.021 REMARK 3 BOND LENGTHS OTHERS(A):

Re: [ccp4bb] refined vs 'others'

2007-11-04 Thread Flip Hoedemaeker
nt: Sunday, November 04, 2007 9:19 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] refined vs 'others' Dear All - wondering about what exactly does REMARK 3 BOND LENGTHS REFINED (A): 2377 ; 0.022 ; 0.021 REMARK 3 BOND LENGTHS OTHERS(A): 2071 ; 0.003 ; 0.

[ccp4bb] refined vs 'others'

2007-11-04 Thread Bernhard Rupp
Dear All - wondering about what exactly does REMARK 3 BOND LENGTHS REFINED (A): 2377 ; 0.022 ; 0.021 REMARK 3 BOND LENGTHS OTHERS(A): 2071 ; 0.003 ; 0.020 'others' imply and what does that tell me? and where can I find the exact meaning of 'period' in REMARK