Eduard, Thank you for pointing out some current deficiencies in PyMOL. This may not be the optimal tool for your task.
While it is possible to move molecules and fragments of molecules, there isn't (yet) any way to move an arbitrary selection...disconnected atoms either need to be moved one by one, or object by object. Likewise, there isn't any way to view the coordinates with a simple click. Cheers, Warren -- Warren L. DeLano, Ph.D. Principal Scientist . DeLano Scientific LLC . 400 Oyster Point Blvd., Suite 213 . South San Francisco, CA 94080 . Biz:(650)-872-0942 Tech:(650)-872-0834 . Fax:(650)-872-0273 Cell:(650)-346-1154 . mailto:war...@delsci.com > -----Original Message----- > From: pymol-users-ad...@lists.sourceforge.net > [mailto:pymol-users-ad...@lists.sourceforge.net] On Behalf Of > eduard michael > Sent: Sunday, March 06, 2005 9:14 AM > To: pymol-users@lists.sourceforge.net > Subject: [PyMOL] Hetatm Problems > > Hi All, > > There are some questions to which I could not find the answer > by myself : > > 1) I can select till 4 atoms by mouse (Ctrl+M_Click) from a > surface.But I will be interested in moving them - as a group > - to another place (i.e. changing their coordinates). How can > I do this with the mouse and Ctrl/Shift keys ? > > 2) I would be interested to select more than 4 atoms from a surface. > Take for ex. the following pdb file : > > HETATM 6 H00 NON A 1 12.457 10.370 5.554 1.00 > 0.00 H > HETATM 7 H00 NON A 1 12.457 0.837 5.554 1.00 > 0.00 H > HETATM 8 H00 NON A 1 15.209 5.603 5.554 1.00 > 0.00 H > HETATM 9 H00 NON A 1 17.961 10.370 5.554 1.00 > 0.00 H > HETATM 10 Au00 NON A 1 8.240 4.758 0.045 1.00 > 0.00 Au > HETATM 11 Au00 NON A 1 10.993 9.524 0.045 1.00 > 0.00 Au > HETATM 12 Au00 NON A 1 13.745 14.291 0.045 1.00 > 0.00 Au > HETATM 13 Au00 NON A 1 13.745 4.758 0.045 1.00 > 0.00 Au > HETATM 14 Au00 NON A 1 16.497 9.524 0.045 1.00 > 0.00 Au > HETATM 15 Au00 NON A 1 19.249 14.291 0.045 1.00 > 0.00 Au > HETATM 16 Au00 NON A 1 19.249 4.758 0.045 1.00 > 0.00 Au > HETATM 17 Au00 NON A 1 22.001 9.524 0.045 1.00 > 0.00 Au > HETATM 18 Au00 NON A 1 24.753 14.291 0.045 1.00 > 0.00 Au > HETATM 19 Au00 NON A 1 5.465 4.748 0.058 1.00 > 0.00 ; Au > HETATM 20 Au00 NON A 1 8.217 9.515 0.058 1.00 > 0.00 Au > > > I can not build a selection based on residue name or residue > number (it is 1 for the entire file). > I can however have a selection based on the residue id > > select myselect, id 7+14+15+16+18+19 > > My question is : having in face the surface how do I know > what is the residue id of an atom ? > Ctrl+L/M/R_Click display only : You clicked /ex//A/NON`1/Au00 . > Nothing about id or atom coordinates which are the only > unique in my case. > I am working with PyMol v 0.97 on a Windows XP system > > > Thanks for any help, > Ed > > > > > __________________________________________________ > Do You Yahoo!? > Tired of spam? Yahoo! Mail has the best spam protection > around http://mail.yahoo.com >
