does anyone know why in the labels for atoms we are pulling in
something called the "modelTagNumber"?
My guess is that in PDB files you have
MODEL 3
in a PDB file, then the idea is to indicate that number instead of the
sequential number in the file (1, 2, 3, ....).
For example, if you label an atom with %M (the model number) or you
click on an atom and look at the status line, if there are multiple
models you will see:
whatever /[THIS NUMBER]
But that's not the number you actually need to access that model (I
don't think).
Furthermore, with XYZ files, what's happening is that the second line
of XYZ files is going into that same variable. So, if you have a
MULTIPLE model file that has, say, at the top:
23
this is my information
<atom definitions here>
and then you load that model and click on an atom, you see something like:
C 1/this is my information
My questions:
1) Is it intentional that the number after the / in an atom
description in a PDB file identifies the number in the MODEL record
instead of 1+m, where m is the index of the model in the file, 0, 1,
2, ...?
2) Is it important that it do so?
3) Why is the information in the second line of an XYZ file being put
in this same variable?
4) I want to fix this. What do you recommend I do about it?
Bob
--
Robert M. Hanson, [EMAIL PROTECTED], 507-646-3107
Professor of Chemistry, St. Olaf College
1520 St. Olaf Ave., Northfield, MN 55057
mailto:[EMAIL PROTECTED]
http://www.stolaf.edu/people/hansonr
"Imagination is more important than knowledge." - Albert Einstein
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