https://github.com/delalamo/af2_conformations
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Tip revision: d60db86886186e80622deaa91045caccaf4103d3 authored by Diego del Alamo on 17 February 2022, 16:16:20 UTC
Update predict.py
Tip revision: d60db86
rmsf.in
parm models/fzd7_64128_*_0.pdb
trajin models/fzd7_64128_*_?.pdb
trajin models/fzd7_64128_*_??.pdb
autoimage
rms :1-62,87-152,171-201,216-245,280-315@CA
#strip !:1-111,121-188,198-223,233-266@CA
average crdset trjavg 
average average_rmsf.pdb pdb
#createcrd CRD1
run
rms ref trjavg :1-62,87-152,171-201,216-245,280-315@CA
atomicfluct out fluct.dat :1-62,87-152,171-201,216-245,280-315@CA byres
run
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