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 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 the Jmol code,

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 load

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 wrote: > 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. > > I'm sure none

[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 -- ___ Jmol

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 woul

[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 PD

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 _a

[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] 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 pho

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 so

[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 > >From: Eric Martz > >Today I am able to get older "snapshot" versions of PDB files. They >have changed the compression from unix .Z to gzip .gz. So to get >1lbg from March 16: > >ftp://snapshots.wwpd