Re: [ccp4bb] Refmac5: put restraint on only peptide bonds

2011-06-23 Thread Garib N Murshudov
External distance restraints have type type 0 - replace what is generated by refmac type 1 - use if there is no restraint for this type. Only one restraint per atom pair type 2 - there may be many restraints per atom pair. Refmac will choose the restraint that is the closest to current interatomi

Re: [ccp4bb] Refmac5: put restraint on only peptide bonds

2011-06-23 Thread Ed Pozharski
On Thu, 2011-06-23 at 16:49 +0900, Masaki UNNO wrote: > Dear all > Is it possible to put restraint on only peptide bonds? I would like > to put restraint on O-N bond lengths, Ca-O-N angles, and O=O-N angles. > Could you teach me how to do it, if possible? > Masaki UNNO, Ph.D. One could create a m

[ccp4bb] Refmac5: put restraint on only peptide bonds

2011-06-23 Thread Masaki UNNO
Dear all Is it possible to put restraint on only peptide bonds? I would like to put restraint on O-N bond lengths, Ca-O-N angles, and O=O-N angles. Could you teach me how to do it, if possible? Best regards ~ Masaki UNNO, Ph.D.