https://github.com/delalamo/af2_conformations
Raw File
Tip revision: d60db86886186e80622deaa91045caccaf4103d3 authored by Diego del Alamo on 17 February 2022, 16:16:20 UTC
Update predict.py
Tip revision: d60db86
project.in
parm 6bd4.pdb
parm average.pdb 
trajin 6bd4.pdb parmindex 0
reference average.pdb [ref] parmindex 1 
readdata evecs.dat name myEvecs
#strip !:1-62,87-152,171-201,216-245,263-298@CA
strip !:1-62,87-152,171-201,208-237,254-289@CA #6bd4
rms reference ref 
projection modes myEvecs out project_6bd4.dat beg 1 end 3 @CA
run
back to top