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tools:tetr [2017/08/17 15:58] – created ggibbtools:tetr [2017/08/18 08:32] ibethune
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 ====== UCSF Chimera Plugins for Tetr and Lev00 ====== ====== UCSF Chimera Plugins for Tetr and Lev00 ======
  
-[[http://nms.kcl.ac.uk/lev.kantorovitch/codes/lev00/index.html|Tetr and Lev00]] are pre and post-processing tools respectively for DFT codes including CP2K. They were written by Lev Kantorovich at King's College London. Courtesy of the EPSRC grant EP/K038583/there now is a [[https://github.com/gpsgibb/tetr_lev00_Chimera_plugin|plugin]] that allows Tetr and Lev00 to run in [[http://www.rbvi.ucsf.edu/chimera/|UCSF Chimera]], a visualisation application for molecular structures. This plugin allows interactive visualisation of the systems being manipulated by Tetr/Lev00. +[[http://nms.kcl.ac.uk/lev.kantorovitch/codes/lev00/index.html|Tetr and Lev00]] are pre and post-processing tools respectively for DFT codes including CP2Kwritten by Lev Kantorovich of King's College London. 
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 +Tetr assists with setting up a system geometry, for example, building supercell, merging geometries from different file formats (e.g. adding a molecule to an existing surface), constructing surfaces, and building molecular clusters. 
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 +Lev00 can calculate phonons and IR intensities (via Born charges), compute the electronic density of states, and visualise charge and spin densities. 
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 +The CP2K-UK project (EPSRC grant EP/K038583/1) has developed a [[https://github.com/gpsgibb/tetr_lev00_Chimera_plugin|plugin]] that allows Tetr and Lev00 to run coupled to [[http://www.rbvi.ucsf.edu/chimera/|UCSF Chimera]], a visualisation application for molecular structures. This plugin allows interactive visualisation of the systems being manipulated by Tetr/Lev00 as well as atom selection
  
 {{:tools:chimera_tetr.png?400|}} {{:tools:chimera_tetr.png?400|}}
 {{:tools:chimera_lev00.png?400|}} {{:tools:chimera_lev00.png?400|}}
tools/tetr.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1