Fix annotation of rp06, calc rmsd once again.
Fix alignment of target and solution seq of rp12.
Fix #3 Add missing models of rp14_bound of Bujnicki group (submitted with modified sequence (see the Bujnicki folder))
Fix #1 and #2
In readmes, native -> solution.
Following fixes where applied:
sed -i -e '/HEADER ver None/d' *.pdb ;
sed -i -e 's/HEADER /REMARK 250 /g' *pdb ;
sed -i -e 's/REMARK 000/REMARK 250/g' *pdb ;
Now the header syntax should look like:
[mm] rp17$ git:(master) ✗ head *.pdb
==> 17_5k7c_solution_rpr.pdb <==
REMARK 250 Generated with rna-pdb-tools
REMARK 250 ver ea5e310-dirty
REMARK 250 https://github.com/mmagnus/rna-pdb-tools
REMARK 250 Tue May 16 11:43:45 2017
REMARK 250 Fixed atoms/residues:
REMARK 250 - add O2' in chain: A <Residue G het= resseq=57 icode= > residue # 53
ATOM 1 P C A 1 -29.720 -19.750 3.190 1.00183.16 P
ATOM 2 OP1 C A 1 -28.490 -20.280 2.531 1.00180.35 O
ATOM 3 OP2 C A 1 -29.638 -18.728 4.275 1.00185.39 O
ATOM 4 O5' C A 1 -30.685 -20.928 3.695 1.00186.30 O
Sometimes rna-pdb-tools generated error in the version line:
REMARK 250 ver fatal: Not a git repository (or any parent up to mount point /Volumes/mqaprna)
Stopping at filesystem boundary (GIT_DISCOVERY_ACROSS_FILESYSTEM not set).
or HEADER ver None