Hi all,
in Jmol 11.6.8 the following commands used to work (example: PDB entry
1DEH):
selection_expression = "proteinogenic AND *:" + "A";
selected_atom_count = {@selection_expression}.size;
print selected_atom_count
The output should be "2781".
In Jmol 14.0.5 and 14.1.8 it doesn't work anymore. The output is "0".
The following extract from the Jmol Script Console shows a few
additional debugging commands and their output:
$ print selection_expression
proteinogenic AND *:A
$ select @selection_expression
2781 atoms selected
$ print {@selection_expression}.size
0
$ print {selected}.size
2781
The debug output shows, that the selection expression still works.
'{}.size' also works if an atom set name like 'selected' is used. But it
seems to be broken if a variable containing the atom expression is used
instead.
Regards,
Rolf
--
Rolf Huehne
Postdoc
Leibniz Institute for Age Research - Fritz Lipmann Institute (FLI)
Beutenbergstrasse 11
07745 Jena, Germany
Phone: +49 3641 65 6205
Fax: +49 3641 65 6210
E-Mail: [email protected]
Website: http://www.fli-leibniz.de
Scientific Director: Prof. Dr. K. Lenhard Rudolph
Head of Administration: Dr. Daniele Barthel
Chairman of Board of Trustees: Dennys Klein
VAT No: DE 153 925 464
Register of Associations: No. 230296, Amtsgericht Jena
Tax Number: 162/141/08228
------------------------------------------------------------------------------
Managing the Performance of Cloud-Based Applications
Take advantage of what the Cloud has to offer - Avoid Common Pitfalls.
Read the Whitepaper.
http://pubads.g.doubleclick.net/gampad/clk?id=121051231&iu=/4140/ostg.clktrk
_______________________________________________
Jmol-users mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/jmol-users
