ap_orient_pdb reads a PDB file and orients the atoms along the axes so the longest protein dimension is along X

and the second longest along Y. Then a second transformation is created to rotate a structure fragment around Z axis by 45 degrees

USAGE: ap_orient_pdb [2kwi.pdb 419 446]

where 2kwi.pdb is the name of an input file and 419 446 is the first and last of the reoriented residues, respectively



  • core/calc/numeric/PCA.hh