Re: [Jmol-developers] Re: [Jmol-users] hbonds in Jmol

Peter, As you know, .pdb files normally don't contain either hydrogens or bond order. Therefore, when you see a C-O you don't know if it is a C=O or a C-O-H Can the code currently in CDK deal with this? > If not I suggest this shouldn't be a Jmol > function but a CDK plugin (e.g. addMissingH w

Re: [Jmol-developers] change list behavior to reply to list?

> I assume this addresses the problem that we all get 2-3 copies of every > mail? Correct! I think it will work much better. Miguel --- This SF.net email is sponsored by: IBM Linux Tutorials. Become an expert in LINUX or just sharpen your s

Re: [Jmol-developers] Re: [Jmol-users] hbonds in Jmol

At 06:25 08/12/2003 -0500, timothy driscoll wrote: There are roughly three steps: Determine precisely which atoms have hydrogens and which don't. If they are explicitly given, OK. If not I suggest this shouldn't be a Jmol function but a CDK plugin (e.g. addMissingH with CDK) determine their c

Re: [Jmol-developers] change list behavior to reply to list?

At 06:12 08/12/2003 -0500, timothy driscoll wrote: greetings, can the behavior of the Jmol listerv be changed so the default is reply to list? I assume this addresses the problem that we all get 2-3 copies of every mail? If so, I'd support this. I suspect it is also user discipline where one sho

Re: [Jmol-developers] change list behavior to reply to list?

Miguel, that works great! thank you very much. :tim -- timothy driscoll molvisions - molecular graphics & visualization usa:north carolina:wake forest at 7.09p EDT on 2003 December 08 Monday Miguel Howard said: > > can the behavior of the Jmol listerv be changed

Re: [Jmol-developers] change list behavior to reply to list?

> can the behavior of the Jmol listerv be changed so the default is reply > to list? I have changed the default behavior of postings to the jmol-users & jmol-developers mailing lists so that replies are directed to the list. We'll try this out and see how it works. Miguel --

[Jmol-developers] Re: [Jmol-users] hbonds in Jmol

this one might be helpful as well... at 12.20p EDT on 2003 December 08 Monday Miguel Howard said: > > is this useful? > > > > > > > >

[Jmol-developers] Re: [Jmol-users] hbonds in Jmol

> is this useful? > > > > it is already a part of the cdk package from openscience, if that > makes a difference. Actually, that makes a big difference. Egon is one of the principals CDK, and we will use CDK to get supp

[Jmol-developers] change list behavior to reply to list?

greetings, can the behavior of the Jmol listerv be changed so the default is reply to list? thanks, :tim -- timothy driscoll molvisions - molecular graphics & visualization usa:north carolina:wake forest --- Th

[Jmol-developers] Re: [Jmol-users] hbonds in Jmol

at 9.49a EDT on 2003 December 07 Sunday timothy driscoll said: > hi Miguel, > > > at 3.24p EDT on 2003 December 07 Sunday Miguel Howard said: > > > >> > - Given that there are no hydrogens in the file ... How do > > >> >you calculate the 'angles' from the bonds that are present? > > >> >