RMSD_Transform

Transform B-factor to RMSD

Software requirement：

Python3

CCP4i Superpose must be added $PATH

install package:

Python3 /../RMSD_Transform-1.0.0/setup.py install

add Executable Authority

chmod u+x TransformRMSD

TransformRMSD should be added $PATH

TransformRMSD usage:

Divided into four modules

alignment

getrmsd

changepdb

bfactor_to_rmsd

Examples:

TransformRMSD alignment -h ：for help

TransformRMSD bfactor_to_rmsd -d default.pdb -f rmsd.pdb -u unchanged_pdb -l result.log -j rmsd_json ：You can get the pdb file changed to rmsd in rmsd.pdb, for other parameters please use -h for details

Contact me

If a bug occurs during use, please contact me at [email protected] without hesitation. ---Lid