Toggle Light / Dark / Auto color theme

Toggle table of contents sidebar

pylipid.util

The util package provides assisting tools to deal with e.g. the writing of pdb files, path checking and writing pymol script etc.

check_dir([directory, suffix, print_info])	Check directory
write_PDB(prot_obj, bfactor, pdb_fn[, …])	Write interaction data in bfactor columns.
write_pymol_script(fname, pdb_fname, …)	Write Python script that opens a PyMol session with binding site information.
sparse_corrcoef(A[, B])	Calculate correlation coeffient matrix using sparse matrix
rmsd(V, W)	Calculate Root-mean-square deviation from two sets of vectors V and W.
get_traj_info(traj[, lipid, lipid_atoms, …])	Get trajectory information regarding atom/residue index and topologies.