[COOT] ncs ghost control
This seems to be lost ?? /y/programs/xtal/coot/coot-Linux-i386-fedora-10-gtk2-python/share/coot/python reads pdb and says: ... INFO:: NCS chain comparison 306/307 INFO:: NCS chain comparison 304/307 INFO:: NCS chain comparison 306/307 INFO:: NCS chain comparison 305/307 INFO:: NCS chain comparison 306/307 INFO:: fill_ghost_info Constructed 5 ghosts Ghost 0 name: NCS found from matching Chain B onto Chain A Ghost 1 name: NCS found from matching Chain C onto Chain A Ghost 2 name: NCS found from matching Chain D onto Chain A Ghost 3 name: NCS found from matching Chain E onto Chain A Ghost 4 name: NCS found from matching Chain F onto Chain A Molecule 0 read successfully then reads some monomers ... then NCS_controller display chain toggled for imol 0 chain 1 state 1 ncs_control_display_chain There are 5 ghosts ighost: 0 name: NCS found from matching Chain B onto Chain A chainid: B target chain id: A display_it_flag 1 ighost: 1 name: NCS found from matching Chain C onto Chain A chainid: C ... then when I try to display it: INFO:: NCS chain comparison 306/311 First atom of 2340 in first selection 1/D/501/1PE/ OH2 altLoc :: segid :D: pos: (43.244,-35.506,-4.711) B-factor: 18.28 First atom of 2316 in second selection 1/A/501/1PE/ OH2 altLoc :: segid :A: pos: (-4.313,-18.187,34.044) B-factor: 21.72 WARNING:: no points to do matching find_ncs_matrix returns (LSQ) | 0, 0, 0| | 0, 0, 0| | 0, 0, 0| ( 0, 0, 0) WARNING:: Junk NCS matrix No NCS matrix defined Admittedly the pdb begins with the ligand numbered 501 then goes back to 1 2 3 etc.. Has that upset it?? Eleanor
Re: [COOT] ncs ghost control
Eleanor Dodson wrote: This seems to be lost ?? /y/programs/xtal/coot/coot-Linux-i386-fedora-10-gtk2-python/share/coot/python reads pdb and says: ... INFO:: NCS chain comparison 306/307 INFO:: NCS chain comparison 304/307 INFO:: NCS chain comparison 306/307 INFO:: NCS chain comparison 305/307 INFO:: NCS chain comparison 306/307 INFO:: fill_ghost_info Constructed 5 ghosts Ghost 0 name: NCS found from matching Chain B onto Chain A Ghost 1 name: NCS found from matching Chain C onto Chain A Ghost 2 name: NCS found from matching Chain D onto Chain A Ghost 3 name: NCS found from matching Chain E onto Chain A Ghost 4 name: NCS found from matching Chain F onto Chain A Molecule 0 read successfully then reads some monomers ... then NCS_controller display chain toggled for imol 0 chain 1 state 1 ncs_control_display_chain There are 5 ghosts ighost: 0 name: NCS found from matching Chain B onto Chain A chainid: B target chain id: A display_it_flag 1 ighost: 1 name: NCS found from matching Chain C onto Chain A chainid: C ... then when I try to display it: INFO:: NCS chain comparison 306/311 First atom of 2340 in first selection 1/D/501/1PE/ OH2 altLoc :: segid :D: pos: (43.244,-35.506,-4.711) B-factor: 18.28 First atom of 2316 in second selection 1/A/501/1PE/ OH2 altLoc :: segid :A: pos: (-4.313,-18.187,34.044) B-factor: 21.72 WARNING:: no points to do matching find_ncs_matrix returns (LSQ) | 0, 0, 0| | 0, 0, 0| | 0, 0, 0| ( 0, 0, 0) WARNING:: Junk NCS matrix No NCS matrix defined Admittedly the pdb begins with the ligand numbered 501 then goes back to 1 2 3 etc.. Has that upset it?? That would be my guess - 60-70% probable I estimate - such is the nature of mmdb atom selection... Paul.
