Topic: xyz-files Goto Github
Some thing interesting about xyz-files
Some thing interesting about xyz-files
xyz-files,This repository contains the working files used in the work "Hot Electron Cooling in Silicon Nanoclusters via Landau-Zener Non-Adiabatic Molecular Dynamics: Size Dependence and Role of Surface Termination"
Organization: akimovlab
xyz-files,How to plot a 3D surface with python by interpolation
User: antonin-lfv
xyz-files,Fortran code that convert bas file to xyz file for Fireball.
User: ctm-itodys
xyz-files,Fortran code that convert xyz-file to POSCAR file for VASP calculation
User: ctm-itodys
xyz-files,Fortran code that convert xyz file to bas file for Fireball
User: ctm-itodys
xyz-files,Transfer XYZ file into POSCAR/CONTCAR file with re-center feature. Useful for single molecule calculation in VASP.
User: fachengg
xyz-files,Script to smooth xyz and cube file trajectories. Applies spline interpolation to the trajectory
User: funkymunkycool
xyz-files,The comparison between two structures is based on the cartesian coords.
User: humanosv
xyz-files,3D chemical molecule visualizer for XYZ files.
User: justinmeiners
xyz-files,Color Voronoi diagram according to scalar property of points.
Organization: kramergroup
xyz-files,A small python script to create animation from multiply xyz files
User: li012589
xyz-files,These are important tools written for working with ORCA (a computational chemistry open source package) in a super-computing environment. They include multiple job submission scripts (BASH), multiple job cancellation (BASH), job setup with different geometries (in python), data extraction (BASH), final optimized geometry extraction (BASH) and
User: mukherjee07
xyz-files,Convert XYZ data to bond lengths & angles, calculate contacts, planes and dihedral angles and print tables
User: radi0sus
xyz-files,Align atomic coordinates in xyz files. Align one or more atoms to x-, y- and z-axes. Set origin to a selected atom or a centroid of selected atoms. Rotate atomic coordinates about arbitrary angles. Translate atomic coordinates.
User: radi0sus
xyz-files, Python 3 script for overlaying or superimposing two or more molecules. The overlayed / superimposed molecules can be displayed and the modified coordinates can be saved as xyz files. Coloring by atom or molecule is possible.
User: radi0sus
xyz-files,Some codes that I prepared for fundamental research interests.
User: tahsingormus
xyz-files,create allatom polymere system from .xyz file in VMD
User: warpv
xyz-files,Convert an xyz file into a molecular graph and create a 3D visualisation of the graph.
User: zotko
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