Jaim, I think ths may be what you need, picking up the older definition of
ligand:
http://wiki.jmol.org/index.php/AtomSets
ligand:
The new definition (Jmol 12.2) includes atoms that do not belong to
protein, nucleic or solvent. That includes water, other solvent, ions and
select hetero
?
On Wed, Jan 22, 2014 at 12:16 PM, Jaime Prilusky
jaime.prilu...@weizmann.ac.il wrote:
Thank you Angel for the explanation. Still looking for a solution.
Jaim
On Jan 22, 2014, at 5:00 PM, Angel Herráez angel.herr...@uah.es wrote:
I'm guessing, but ATP may be recognized as
definitely:
boolean isHetero = line.startsWith(HETATM);
On Fri, Jan 24, 2014 at 6:16 PM, Robert Hanson hans...@stolaf.edu wrote:
select hetero
?
On Wed, Jan 22, 2014 at 12:16 PM, Jaime Prilusky
jaime.prilu...@weizmann.ac.il wrote:
Thank you Angel for the explanation. Still
I'm looking for the equivalent to getProperty ligandInfo that will return the
complete list of names in HET or HETAM
definitely:
boolean isHetero = line.startsWith(HETATM);
On Fri, Jan 24, 2014 at 6:16 PM, Robert Hanson
hans...@stolaf.edumailto:hans...@stolaf.edu wrote:
select hetero
?
I'm guessing, but ATP may be recognized as nucleic by Jmol
algorithm and hence excluded from the ligand set, which is not
protein, not nucleic, not solvent if I remember correctly
Sorry, ligand used to be hetero and not solvent, but the problem may
be along those lines.
Thank you Angel for the explanation. Still looking for a solution.
Jaim
On Jan 22, 2014, at 5:00 PM, Angel Herráez angel.herr...@uah.es wrote:
I'm guessing, but ATP may be recognized as nucleic by Jmol
algorithm and hence excluded from the ligand set, which is not
protein, not nucleic, not
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