Re: [Jmol-users] Advice on display of cyclic DNA: more ...

2009-01-28 Thread Angel Herraez
Henry, I've devised a (very) dirty solution: duplicate residue 1 as nr. 9 The trace or cartoon is very sharp at the connection, so things get better if we shift the residue numbering, such as making 1 -> 6 2 -> 7 3 -> 8 4 -> 1 5 -> 2 6 -> 3 7 -> 4 8 -> 5 9 is a copy of the new residue 1 (former 6

Re: [Jmol-users] Advice on display of cyclic DNA: more ...

2009-01-28 Thread Rzepa, Henry
>Hi Henry >Nice molecule! It (sort of ) has D2 symmetry, and is therefore dissymetric in its own right > I had only known cyclic DNA molecules as in >"circular" DNA, e.g. procariotic DNA and plasmids. Chemicaly there is >not much difference. >Just for info, RasMol and Accelrys DS Visualizer don

Re: [Jmol-users] Advice on display of cyclic DNA: more ...

2009-01-28 Thread Angel Herraez
Well, it is not based on residue numbering. A possible way to deal with this ould be to parse the pdb information in LINK records. Henry's file (2HK4.pdb) has them: LINK P C A 1 O3* T A 8 LINK P C B 1 O3* T B 8

Re: [Jmol-users] Advice on display of cyclic DNA: more ...

2009-01-28 Thread Robert Hanson
the bonds are there; it's just the cartoons that are not. On Wed, Jan 28, 2009 at 5:16 AM, Rzepa, Henry wrote: > Quick follow up to http://www.ch.ic.ac.uk/local/organic/pericyclic/2HK4.html > > Kinemage (which is more veritable than Jmol), also fails to close the cycle > on cyclic DNA, so I

Re: [Jmol-users] Advice on display of cyclic DNA: more ...

2009-01-28 Thread Angel Herraez
Hi Henry Nice molecule! I had only known cyclic DNA molecules as in "circular" DNA, e.g. procariotic DNA and plasmids. Chemicaly there is not much difference. I don't know the exact code being used fior calculating and rendering cartoons et al., but I guess it is based on phosphorus IDs and r

[Jmol-users] Advice on display of cyclic DNA: more ...

2009-01-28 Thread Rzepa, Henry
Quick follow up to http://www.ch.ic.ac.uk/local/organic/pericyclic/2HK4.html Kinemage (which is more veritable than Jmol), also fails to close the cycle on cyclic DNA, so I presume that Jmol is merely following the convention in this regard in how it also does this. I guess this is a bit o

[Jmol-users] Advice on display of cyclic DNA

2009-01-28 Thread Rzepa, Henry
I am interested in the properties of a class of DNA called cyclic DNA. An example can be seen at http://www.ch.ic.ac.uk/local/organic/pericyclic/2HK4.html This consists of two loops of cyclic 8-mers of DNA bound by Watson-Crick pairing. The two separate monomers, when displayed as ball and