Ah, OK. I was thinking of floating-point values. But say you wanted to do
that and you had that file that had that data. Here's how you would make an
array of that information in Jmol:
var filedata = load("thatFileName.pdb").lines
var SymData = []
var PdbData = []
var i = 0;
for (var line in filedata) {
var tline = line.trim()
if (tline == "END") { continue }
++i
SymData[i] = line[60][65] # I didn't count -- something like this --
columns 60-65 indicated here
PdbData[i] = line[80][85]
}
Then while you cannot assign an atom property to a string, you can
certainly use that anywhere you want.
If you really want it to be an atom property, then you could use atomType
and/or atomName -- these are strings, and they could be assigned to anything
you want. Interestingly, if you assigned them to atom names, then can do
this:
{*}.atomName = PdbData
select *.1jgq
for example. That might be useful. Or, if you use atomType:
{*}.atomName = SymData
then you can use
select atomType = "D0Z0"
Bob
On Thu, Aug 11, 2011 at 7:21 AM, Pascal Auffinger <
[email protected]> wrote:
> Hi Bob,
>
> You wrote:
> Note also that since you only have ATOM records and occasional END markers,
> you could just load that file with the load() function and do anything you
> want with it, including delivering whatever column fields you want to atom
> properties.
>
> I don't know if I understand that well.
> How would you read a file like this one ?
>
> ATOM 1086 N ARG A 51 29.887 -6.322 19.972 1.00 30.33
> D0Z0 N 1AZT
> ATOM 1086 N ARG A 51 29.887 -6.322 19.972 1.00 30.33
> D0Z0 N 2RAM
> ATOM 1086 N ARG A 51 29.887 -6.322 19.972 1.00 30.33
> D0Z0 N 9MHT
> ATOM 1086 N ARG A 51 29.887 -6.322 19.972 1.00 30.33
> D0Z0 N 3LAT
> …
>
> Or how would you load this file first as a pdb and the attribution the DOZO
> column to a specific atom property like atomsymmetry and the last column
> to PDBcode ?
>
> Thanks for help,
>
> Pascal
>
>
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--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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