Thanks Bob, this approach does seem to work, so I shall change my code
accordingly.
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Hi Angel,
Thank you for the examples.
First I tried running your code in the console
==
load data "model example"|@MOLECULE|Molecule Name|5
4|SMALL|NO_CHARGES|||@ATOM|1 C1-0. 0.
-0.6300 C 1 fluromethane 0.123871|2 H2 0. 1.0330-0.9980 H 1
Hi Angel,
The exact version is 14.6.0_2016.05.24.
It seems to be happening to any structure I have.
Have only tried it with mol2 files.
As the simple load command (load "") triggers the same error, I don't think
it's related to the use of the spacegroup filter.
This is how the structures
Hello,
I've been using version 14.2.7 for quite a long time and want to upgrade to the
latest version.
However, I've found an issue with 14.6.0.
When I try to reload a mol2 structure with unit cell information like so
load "" {1 1 1} SPACEGROUP "x,y,z;-x,y,1/2-z;-x,-y,-z;x,-y,1/2+z";
I
