I'm moving this to the avogadro list - you might want to also check https://discuss.avogadro.cc
IIRC you can animate VASP trajectories, but I don't think we have any support for VASP XML. I don't use VASP, but I wasn't aware there even *was* an XML format. (I think it's either POSCAR or OUTCAR? Again, I don't use VASP.) (Open Babel reads a variety of XML types, but it has to know the underlying data..) A couple ways to fix Avo2: - You can hack the VASP reader to handle the XML format: https://github.com/OpenChemistry/avogadrolibs/blob/master/avogadro/io/vaspformat.cpp - You can write a Python script that reads the VASP XML => XYZ trajectory, e.g. https://github.com/OpenChemistry/avogadrolibs/blob/master/avogadro/qtplugins/scriptfileformats/formatScripts/zyx.py If it's possible to get the non-XML VASP file, you'll probably be good to go already. -Geoff > On Mar 12, 2021, at 1:20 PM, Christoffer Lundgren <chrlu...@student.liu.se> > wrote: > > Hi. > > Im trying to run a VASP MD simulation on avogardo 2 by loading in the > vasp.xml file. Is it even possible to see the whole run as a movie in > Avogardo 2? > > It looks like Avogardo 2 supports .xml files. When I try to load it I get the > following error message: OpenBabel error: conversion failed. > > I have the lastes OpenBabel intalled. > > Kind regards, > Christoffer Lundgren. > _______________________________________________ > Openchemistry-users mailing list > openchemistry-us...@public.kitware.com > <mailto:openchemistry-us...@public.kitware.com> > https://public.kitware.com/mailman/listinfo/openchemistry-users > <https://public.kitware.com/mailman/listinfo/openchemistry-users>
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