Re: [Jmol-developers] update of CARBOHYDRATE atom set definition

2011-06-30 Thread Angel Herráez
I have NOT removed the obsolete IDs. They are still there for backwards compatibility. I just moved them all to the last line so they are easily identified as such. After all, we are supporting old atom and residue names like A T G C in DNA, both 3' and 3* etc. Unless the same IDs are now used

Re: [Jmol-developers] update of CARBOHYDRATE atom set definition

2011-06-30 Thread Robert Hanson
Don't get me wrong -- I'm totally supportive of this effort. I just got mixed up because I didn't realize that PDB had a different name for NAM than what biochemists all know as NAM (AMU). So that was missing. Here's an example (probably of no more than 8 examples total) of where NAM is NAM: !--

Re: [Jmol-developers] update of CARBOHYDRATE atom set definition

2011-06-30 Thread Angel Herráez
Bob Hanson wrote: Don't get me wrong I didn't. No worries. PREHEADER HYDROLASE (O-GLYCOSYL) 06-DEC-79 I think that date is the key here. PDB has been doing a lot of change. But on the other hand we all keep old files around in our disks and webpages, so the conservative attitude is

[Jmol-developers] update of CARBOHYDRATE atom set definition

2011-06-29 Thread Angel Herráez
Dear developers, I have committed code that updates the definition of the 'carbohydrate' atom set. This is based on a list of residue IDs (provided by Eric some time ago). While working with some glycans in glycoproteins, I have found out a few common residues (N-acetyl-galactosamine and

Re: [Jmol-developers] update of CARBOHYDRATE atom set definition

2011-06-29 Thread Jonathan Gutow
I vote for bug-fix and inclusion in 12.0 Jonathan On Jun 29, 2011, at 1:35 PM, Angel Herráez wrote: Dear developers, I have committed code that updates the definition of the 'carbohydrate' atom set. This is based on a list of residue IDs (provided by Eric some time ago). While working

Re: [Jmol-developers] update of CARBOHYDRATE atom set definition

2011-06-29 Thread Robert Hanson
You can do that, but we are very close to not doing any more bug fixes in 12.0. I'd like to release 12.0 in mid to late July. On Wed, Jun 29, 2011 at 1:42 PM, Jonathan Gutow gu...@uwosh.edu wrote: I vote for bug-fix and inclusion in 12.0 Jonathan On Jun 29, 2011, at 1:35 PM, Angel Herráez

Re: [Jmol-developers] update of CARBOHYDRATE atom set definition

2011-06-29 Thread Robert Hanson
I mean 12.2 On Wed, Jun 29, 2011 at 4:15 PM, Robert Hanson hans...@stolaf.edu wrote: You can do that, but we are very close to not doing any more bug fixes in 12.0. I'd like to release 12.0 in mid to late July. On Wed, Jun 29, 2011 at 1:42 PM, Jonathan Gutow gu...@uwosh.edu wrote: I vote

Re: [Jmol-developers] update of CARBOHYDRATE atom set definition

2011-06-29 Thread Robert Hanson
I returned NAM and ASF for 12.1 -- I suggest they be returned for 12.0 as well. NAM is *N*-acetylmuramic acidhttp://en.wikipedia.org/wiki/N-Acetylmuramic_acid ASF is N-GLYCOSYL CHAIN Was there some reason you were considering these not to be carbohydrates, Angel? The reason to include them is