Hi everyone,
Did anyone figure out how to fix Can't call method tag error and adding
sites? Really a novice on fitting and I badly need help on this to get
going. Sorry to bother everyone.
Thanks!
Julius
On Mon, Nov 11, 2013 at 8:48 AM, Julius Campecino jcampec...@gmail.comwrote:
Hi Chris,
Julius,
I again did not find answer to the error but you could also try the following
entity of ATOMS on the web which easily allows a huge number of sites
http://cars9.uchicago.edu/cgi-bin/atoms/atoms.cgi
Chris
Dr. Christopher Patridge
Assistant
Hi Chris,
Same problem:
Can't call method quot;attributesquot; on an undefined value at
/usr/local/lib/perl5/site_perl/5.10.0/Xray/ATP.pm line 342.
Can you try running this input and see if it works for you or not? Maybe
there is something at my end that is causing this error.
! This atoms
X, Y, and Z coordinates
Specify the fractional coordinate of a site in one of the cell axis
directions. You may use simple fractions such as 1/2.
Space group P 21 21 21
Are your axes in Angstroms?
On 11/13/2013 11:58 AM, Julius Campecino wrote:
Hi Chris,
Same problem:
Can't call
Yes Matt, that is the metal core. I tried translating the coordinates to
the origin and it is still giving me the same problem. I think this has
something to do with the attributes/tag after the coordinates. I do not
know if some code is not working for the Tag. Have you tried running it on
your
This still puts the core atoms at huge distances from each other. This can't
be right. I don't know if these
distances cause the problem you're having, but for any reasonable Rmax, no atom
will be in range of the Ni. Maybe
it's objecting to making a cluster containing the central atom and no
It worked! Thank you Matt, Chris and Robert for extending your help.
Sincerely,
Julius
On Wed, Nov 13, 2013 at 12:35 PM, Matthew Marcus mamar...@lbl.gov wrote:
This still puts the core atoms at huge distances from each other. This
can't be right. I don't know if these
distances cause the
