python2 and numpy python3 and numpy
add to your ~/.bashrc: export ssRNATTRACT='full path to git directory'
have frag[i].rmsd for each fragment
- Convert data from ATTRACT (RNA 3nt sequence AAUC)\
$ssRNATTRACT/prep_assembly.sh AAU frag1
$ssRNATTRACT/prep_assembly.sh AUC frag2
- Assemble fragments\
args: [first frag index] [last frag index] [Nb_poses] [Nb_chains] [meanrk] [min_overlap rmsd] [max_overlap rmsd]
exp: $ssRNATTRACT/assemble.sh 1 2 10000 1000 10000 1.2 2.5
- Convert chains of fragments into full all-atom models\
args: [chains] [first frag index] [last frag index]
expl: $ssRNATTRACT/create_chains.sh f1-2_1.5A_10000poses.chains 1 2