Re: [Jmol-users] detecting base pairs in RNA

2011-03-07 Thread Angel Herráez
Thanks, Bob, that's what I needed It seems that your 2 solutions work the same. I'm finding out which one is the best solution for me. Of course, working with RNA is mroe tricky, but that's why I need the algorithm.

Re: [Jmol-users] detecting base pairs in RNA

2011-03-07 Thread Robert Hanson
so for this context: Recognized cross-linking includes hydrogen bonding between the purine N1 and pyrimidine N3 in nucleic acids 2011/3/7 Angel Herráez angel.herr...@uah.es Thanks, Bob, that's what I needed It seems that your 2 solutions work the same. I'm finding out which one is the

[Jmol-users] detecting base pairs in RNA

2011-03-05 Thread Angel Herráez
Hi all I am tryng to write a script that will detect paired bases (A-U, G-C) in a RNA molecule. Before I start trying, any ideas about how to address it would be welcome. For now, I am thinking of using WITHIN with distance. (I am assuming that in large pdb files maybe the hbonds detection is

Re: [Jmol-users] detecting base pairs in RNA

2011-03-05 Thread Robert Hanson
RNA is a bit tricky because the pairing can be rather loose. But here's a slick way: Use Jmol bioSMILES. load =1d66 calculate hbonds# necessary for defining the connections selectionhalos on select within(group,within(smiles,~d~G(C))) delay 1 select within(group,within(smiles,~d~A:T)) # ~d~

Re: [Jmol-users] detecting base pairs in RNA

2011-03-05 Thread Robert Hanson
Oh, also, there is: select within(basepair,GC) 2011/3/5 Angel Herráez angel.herr...@uah.es Hi all I am tryng to write a script that will detect paired bases (A-U, G-C) in a RNA molecule. Before I start trying, any ideas about how to address it would be welcome. For now, I am thinking of