Re: [ccp4bb] refmac and DNA (and now RNA)

2011-09-12 Thread Garib N Murshudov
Hi Francis Is that newer version of refmac? regards Garib On 12 Sep 2011, at 20:09, Francis E Reyes wrote: > Hi Garib > > Thanks for the quick reply! > > Refmac however is writing my pdb's as with the residue letter in the > centered position. > > Is the newest pdb requiring centered resi

Re: [ccp4bb] refmac and DNA (and now RNA)

2011-09-12 Thread Garib N Murshudov
Yes, new version of the dictionary uses U. Refmac will read right or left justified residue names, however pdb may use only one of them. There are some backward compatibility code/dictionary elements. For example Ad/Ar are also accepted. However it is encouraged to use new pdb v2.3 residue/ato

Re: [ccp4bb] refmac and DNA (and now RNA)

2011-09-12 Thread Francis E Reyes
Hi Garib Thanks for the quick reply! Refmac however is writing my pdb's as with the residue letter in the centered position. Is the newest pdb requiring centered residue letters for RNA? F On Sep 12, 2011, at 1:05 PM, Garib N Murshudov wrote: > Refmac will read right or left justified resid

Re: [ccp4bb] refmac and DNA (and now RNA)

2011-09-12 Thread Phoebe Rice
.asp Original message >Date: Mon, 12 Sep 2011 12:23:17 -0600 >From: CCP4 bulletin board (on behalf of Francis E >Reyes ) >Subject: Re: [ccp4bb] refmac and DNA (and now RNA) >To: CCP4BB@JISCMAIL.AC.UK > >Is ' U ' now the standard vs ' U' ?

Re: [ccp4bb] refmac and DNA (and now RNA)

2011-09-12 Thread Francis E Reyes
Is ' U ' now the standard vs ' U' ? I'm used to right justified letters for RNA residues in the residue field. This is with a recent refinement with refmac 5.6.0117 . And of course this switch in naming convention breaks compatibility with molprobity (which requires right justified letters i