MBG wiki | RecentChanges | Blog | 2021-09-24 | 2021-09-23

Anisotropic fluctuations (and their visualisation)

trio, gromacs and Raster3D :

trio my.dcd my.g96

/usr/local/gromacs/i686-pc-linux-gnu/bin/g_rmsf -f my.g96 -s my.pdb -oq aniso.pdb -aniso

rastep -nohydrogens -fancy3 < aniso.pdb | render -size 1024x1024 -zoom 1.5 -jpeg picture.jpg ; display picture.jpg

 molecular dynamics anisotropic thermal ellipsoids 2

 molecular dynamics anisotropic thermal ellipsoids 1