Hi Fred,
I'm currently making some similar figures and I came across PLIP
https://plip-tool.biotec.tu-dresden.de/plip-web/plip/index
It doesn't give the 1d plots but it gives a very nice pymol output to
make 3d images.
Hope that helps,
Rob
ce
On 6/04/2021 15:47, Fred Vellieux wrote:
Hi folks,
I'm trying to run Ligplot on a PDB file that contains a residue with
type UNL (Unknown Ligand). I hadn't been using LigPlot for perhaps 2
years now (which means that I had to reinstall, with an expired
license, and get familiar with it again). I get the following error
message (rather cryptic):
Calling HBADD ...
Running HBADD
Het Group Dictionary: /components.cif
Temporary PDB file: /tmp/lig7141158588178475829/ligplus.pdb
Command: /LigPlus/lib/exe_linux/hbadd
/tmp/lig7141158588178475829/ligplus.pdb /components.cif -wkdir
/tmp/lig7141158588178475829/
java.io.IOException: Cannot run program
"/LigPlus/lib/exe_linux/hbadd": error=2, No such file or directory
Other event: state
Would anyone know what to make out of this message ? Otherwise is
there another piece of software (called "app" nowadays) that could
provide me with similar drawings ?
At some stage I ran PRODRG, introduced the cif file in the file
components.cif used by LigPlot (LigPlus). I also replaced the
coordinate files by those returned by the PRODRG run. Always with the
same cryptic error message provided by the software (oops, app).
Thanks,
Fred.
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