[Jmol-users] Fwd: Getting unremediated PDB files: NOW WORKING

2009-03-30 Thread Eric Martz
Date: Mon, 30 Mar 2009 12:01:10 -0500 To: Forum for the Proteopedia User Community proteopedialist-for-us...@bioinformatics.org From: Eric Martz ema...@microbio.umass.edu Today I am able to get older snapshot versions of PDB files. They have changed the compression from unix .Z to gzip

Re: [Jmol-users] Fwd: Atom serial numbers vs. Jmol/Proteopedia

2009-03-30 Thread Robert Hanson
Eric, Jmol does not use atom serial numbers in state scripts. It uses atom indexes, but maybe that's what you were referring to. I could see how that would cause a problem if the file is being extracted from the PDB on the fly, and the underlying PDB file has changed atom order. The only viable

Re: [Jmol-users] Fwd: Getting unremediated PDB files: NOW WORKING

2009-03-30 Thread Robert Hanson
So, Eric -- you solved your own problem, right? You just need to upload older versions of those files that match the state script you are using. Yes? Bob -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN 55057 http://www.stolaf.edu/people/hansonr

[Jmol-users] setting hover text only for selected atoms

2009-03-30 Thread Angel Herráez
11.6.18 and 11.7.28 The command hover myText applies to all atoms, not to the currently selected set. I was of course expecting the latter. The documentation says nothing but that's the behaviour for all commands. How can one set custom hovers?

Re: [Jmol-users] setting hover text only for selected atoms

2009-03-30 Thread Robert Hanson
You have to set a hoverCallback. set hovercallback jmolscript:set hoverlabel @{\this is atom \ + _atomHovered} for example, displays this is atom 3 when it is over that atom. You can also put anything in a Jmol script function and use that to define hoverlabel. The function is run after

[Jmol-users] Fwd: Re: Chain order changes: a problem for Proteopedia

2009-03-30 Thread Eric Martz
Dear Bob, How difficult would it be to change the state script generator in Jmol to avoid using atom serial numbers? I'm sure none of us ever envisioned the current state of affairs. We have who knows how many state scripts saved in Proteopedia, and now an unknown number of March-17-remediated

Re: [Jmol-users] Fwd: Re: Chain order changes: a problem for Proteopedia

2009-03-30 Thread Eran Hodis
Dear Eric, Your email mentioned atom serial numbers but Bob said in a previous email Eric, Jmol does not use atom serial numbers in state scripts. It uses atom indexes, but maybe that's what you were referring to. However, Bob, if atom indexes are the same as atom serial numbers, then I too would

[Jmol-users] atom indexes, serial numbers and names

2009-03-30 Thread rgb
Have the atom names stayed unique through the various remediation cycles of the PDB? If so use the CIF files with the names rather than the .pdb format files. Rich -- ___

Re: [Jmol-users] Fwd: Re: Chain order changes: a problem for Proteopedia

2009-03-30 Thread Robert Hanson
On Mon, Mar 30, 2009 at 4:16 PM, Eric Martz ema...@microbio.umass.eduwrote: Dear Bob, How difficult would it be to change the state script generator in Jmol to avoid using atom serial numbers? impossible. It has to use atom index numbers (what you are calling serial numbers). That I know.

Re: [Jmol-users] Fwd: Re: Chain order changes: a problem for Proteopedia

2009-03-30 Thread Robert Hanson
Let's clear up the atom serial number business. PDB file contain atom serial numbers. These are in the ATOM and HETATM records. Behind the scenes, in the Jmol code, we call these atom serial numbers as opposed to atom index numbers, which start at 0 and go consecutively through ALL models loaded.

Re: [Jmol-users] Fwd: Re: Chain order changes: a problem for Proteopedia

2009-03-30 Thread Eran Hodis
Bob, Thank you for the clarification. Everything makes sense. Eran On Tue, Mar 31, 2009 at 1:39 AM, Robert Hanson hans...@stolaf.edu wrote: Let's clear up the atom serial number business. PDB file contain atom serial numbers. These are in the ATOM and HETATM records. Behind the scenes, in