[PyMOL] save all not working for multiple objects from split_states?

2004-04-06 Thread Dr. Daniel James White PhD

Hi all,

I opened a biological unit pdb file of a viral capsid protein 
containing the 60 states or models making up the whole viral capsid 
structure.


I did
split_states
to get all 60 molecules as individual objects

sweet!

then I deleted the ones I didnt want, leaving 15 molecules around one 
of the 5 fold symmetry axes.


now I want to save these molecules to a pdb file.

so I did

save 5fold.pdb, all

this gave no errors, but the pdb file written only contains

END

what am I doing wrong? I expect it is my simple mistake?

cheers

Dan


Dr. Daniel James White BSc. (Hons.) PhD
Cell Biology
Department of biological and environmental science
PO Box  35
University of Jyväskylä
Jyväskylä FIN 40014
Finland
+358 14 260 4183 (work)
+358 468102840 (new mobile)
NEW PHONE NUMBER!!!

http://www.chalkie.org.uk
d...@chalkie.org.uk
wh...@cc.jyu.fi



RE: [PyMOL] save all not working for multiple objects from split_states?

2004-04-06 Thread Warren DeLano
Dan,

That's the not expected result, but indeed you have a problem --
each of those subunits will have identical atoms.  To resolve this, assign a
unique segment identifier to each subunit:

load 1c8e.pdb1, 1c8e
split_states 1c8e
delete 1c8e
alter all, segi = model[-4:]
rewind
save test.pdb, all

dele all
load test.pdb

The reason why you were getting a PDB file with just END is that you didn't
return the viewer ro frame/state 1 after moving all of the data to state 1.

After the above, you'll now be able to address each subunit indepently as:

hide
show ribbon
color red, segi 0001
zoom segi 0001

http://delsci.com/img/1c8e-subunit.jpg

Cheers,
Warren


 -Original Message-
 From: pymol-users-ad...@lists.sourceforge.net 
 [mailto:pymol-users-ad...@lists.sourceforge.net] On Behalf Of 
 Dr. Daniel James White PhD
 Sent: Tuesday, April 06, 2004 6:22 AM
 To: pymol-users@lists.sourceforge.net
 Subject: [PyMOL] save all not working for multiple objects 
 from split_states?
 
 Hi all,
 
 I opened a biological unit pdb file of a viral capsid 
 protein containing the 60 states or models making up the 
 whole viral capsid structure.
 
 I did
 split_states
 to get all 60 molecules as individual objects
 
 sweet!
 
 then I deleted the ones I didnt want, leaving 15 molecules 
 around one of the 5 fold symmetry axes.
 
 now I want to save these molecules to a pdb file.
 
 so I did
 
 save 5fold.pdb, all
 
 this gave no errors, but the pdb file written only contains
 
 END
 
 what am I doing wrong? I expect it is my simple mistake?
 
 cheers
 
 Dan
 
 
 Dr. Daniel James White BSc. (Hons.) PhD
 Cell Biology
 Department of biological and environmental science PO Box  35 
 University of Jyväskylä Jyväskylä FIN 40014 Finland
 +358 14 260 4183 (work)
 +358 468102840 (new mobile)
 NEW PHONE NUMBER!!!
 
 http://www.chalkie.org.uk
 d...@chalkie.org.uk
 wh...@cc.jyu.fi
 
 
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