Dear Fred, the error message looks like ligplot was started through a script, that uses an environment variable, which is not set, soemthing like
${MYLIGPLOTDIR}/components.cif
In case MYLIGPLOTDIR is not set, you would get this sort of error
messages.
Best,
Tim
On Tue, 6 Apr 2021 15:47:21 +0200 Fred Vellieux
<frederic.velli...@lf1.cuni.cz> 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.
>
--
--
Tim Gruene
Head of the Centre for X-ray Structure Analysis
Faculty of Chemistry
University of Vienna
Phone: +43-1-4277-70202
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