From: David G. <dga...@ni...> - 2008-01-31 22:54:35
|
Suppose one is mouse-oriented and script-averse. He makes a nice figure with a not-fully-refined model and saves the .pse file. Later, refinement is done and he has a new pdb file. He would like to have that same figure that is encoded in the .pse file, but using the final pdb file, without repeating all the mouse-ing. Is there a way or is he destined to repeat the mouse work? He should have turned on the log while he was mouse-ing? thanks, Dave -- David N. Garboczi, PhD Phone: 301-496-4773 Investigator, Structural Biology Section (SBS) Laboratory of Immunogenetics (LIG) National Institute of Allergy and Infectious Diseases (NIAID) National Institutes of Health (NIH) Twinbrook 2/Room 110 12441 Parklawn Drive Rockville, Maryland 20852-1742 Fax: 301-402-0284 Email: dga...@ni... The information in this e-mail and any of its attachments is confidential and may contain sensitive information. It should not be used by anyone who is not the original intended recipient. If you have received this e-mail in error please inform the sender and delete it from your mailbox or any other storage devices. The National Institute of Allergy and Infectious Diseases (NIAID) shall not accept liability for any statement made that are the sender's own and not expressly made on behalf of the NIAID by one of its representatives. |
From: DeLano S. <de...@de...> - 2008-01-31 23:09:19
|
David, So long as the PDB files match, you should be able to: load new_pdb.pdb, new_object update old_object, new_object delete new_object Cheers, Warren -- DeLano Scientific LLC Subscriber Support Services mailto:de...@de... > -----Original Message----- > From: pym...@li... > [mailto:pym...@li...] On Behalf > Of David Garboczi > Sent: Thursday, January 31, 2008 2:54 PM > To: pym...@li... > Subject: [PyMOL] .pse file and new pdb > > Suppose one is mouse-oriented and script-averse. > > He makes a nice figure with a not-fully-refined model and > saves the .pse file. > > Later, refinement is done and he has a new pdb file. > > He would like to have that same figure that is encoded in the > .pse file, but using the final pdb file, without repeating > all the mouse-ing. > > Is there a way or is he destined to repeat the mouse work? > He should have turned on the log while he was mouse-ing? > > thanks, > > Dave > > -- > David N. Garboczi, PhD > Phone: 301-496-4773 > Investigator, Structural Biology Section (SBS) Laboratory of > Immunogenetics (LIG) National Institute of Allergy and > Infectious Diseases (NIAID) National Institutes of Health > (NIH) Twinbrook 2/Room 110 > 12441 Parklawn Drive > Rockville, Maryland 20852-1742 > Fax: 301-402-0284 > Email: dga...@ni... > > > > > The information in this e-mail and any of its attachments is > confidential and may contain sensitive information. It should not be > used by anyone who is not the original intended recipient. > If you have > received this e-mail in error please inform the sender and delete it > from your mailbox or any other storage devices. The National > Institute > of Allergy and Infectious Diseases (NIAID) shall not accept liability > for any statement made that are the sender's own and not > expressly made > on behalf of the NIAID by one of its representatives. > > -------------------------------------------------------------- > ----------- > This SF.net email is sponsored by: Microsoft > Defy all challenges. Microsoft(R) Visual Studio 2008. > http://clk.atdmt.com/MRT/go/vse0120000070mrt/direct/01/ > _______________________________________________ > PyMOL-users mailing list > PyM...@li... > https://lists.sourceforge.net/lists/listinfo/pymol-users |
From: David G. <dga...@ni...> - 2008-01-31 23:17:56
|
By match do you mean, that the new pdb has no more or no less atoms, all with the same names so that only the coords and Bs have changed? Dave At 3:09 PM -0800 1/31/08, DeLano Scientific wrote: >David, > >So long as the PDB files match, you should be able to: > >load new_pdb.pdb, new_object > >update old_object, new_object > >delete new_object > >Cheers, >Warren > > >-- >DeLano Scientific LLC >Subscriber Support Services >mailto:de...@de... > > >> -----Original Message----- >> From: pym...@li... >> [mailto:pym...@li...] On Behalf >> Of David Garboczi >> Sent: Thursday, January 31, 2008 2:54 PM >> To: pym...@li... >> Subject: [PyMOL] .pse file and new pdb >> >> Suppose one is mouse-oriented and script-averse. >> >> He makes a nice figure with a not-fully-refined model and >> saves the .pse file. >> >> Later, refinement is done and he has a new pdb file. >> >> He would like to have that same figure that is encoded in the >> .pse file, but using the final pdb file, without repeating >> all the mouse-ing. >> >> Is there a way or is he destined to repeat the mouse work? >> He should have turned on the log while he was mouse-ing? >> >> thanks, >> >> Dave >> >> -- >> David N. Garboczi, PhD >> Phone: 301-496-4773 >> Investigator, Structural Biology Section (SBS) Laboratory of >> Immunogenetics (LIG) National Institute of Allergy and >> Infectious Diseases (NIAID) National Institutes of Health >> (NIH) Twinbrook 2/Room 110 >> 12441 Parklawn Drive >> Rockville, Maryland 20852-1742 >> Fax: 301-402-0284 >> Email: dga...@ni... >> >> >> >> >> The information in this e-mail and any of its attachments is >> confidential and may contain sensitive information. It should not be >> used by anyone who is not the original intended recipient. >> If you have >> received this e-mail in error please inform the sender and delete it >> from your mailbox or any other storage devices. The National >> Institute >> of Allergy and Infectious Diseases (NIAID) shall not accept liability >> for any statement made that are the sender's own and not >> expressly made >> on behalf of the NIAID by one of its representatives. >> >> -------------------------------------------------------------- >> ----------- >> This SF.net email is sponsored by: Microsoft >> Defy all challenges. Microsoft(R) Visual Studio 2008. >> http://clk.atdmt.com/MRT/go/vse0120000070mrt/direct/01/ >> _______________________________________________ >> PyMOL-users mailing list >> PyM...@li... >> https://lists.sourceforge.net/lists/listinfo/pymol-users -- David N. Garboczi, PhD Phone: 301-496-4773 Investigator, Structural Biology Section (SBS) Laboratory of Immunogenetics (LIG) National Institute of Allergy and Infectious Diseases (NIAID) National Institutes of Health (NIH) Twinbrook 2/Room 110 12441 Parklawn Drive Rockville, Maryland 20852-1742 Fax: 301-402-0284 Email: dga...@ni... The information in this e-mail and any of its attachments is confidential and may contain sensitive information. It should not be used by anyone who is not the original intended recipient. If you have received this e-mail in error please inform the sender and delete it from your mailbox or any other storage devices. The National Institute of Allergy and Infectious Diseases (NIAID) shall not accept liability for any statement made that are the sender's own and not expressly made on behalf of the NIAID by one of its representatives. |