Very similar structures

Hi guys, I have a question, I have two structures that are different by just a few atoms. Is there any way I could use the selection tools in chimera to find them and display them? -- Rebecca Swett Wayne State University 357 Chemistry Detroit, MI 48201 Lab Phone 313-577-0552 Cell Phone 906-235-0768

On Apr 11, 2013, at 2:46 PM, Rebecca Swett wrote:
Hi guys, I have a question, I have two structures that are different by just a few atoms. Is there any way I could use the selection tools in chimera to find them and display them?
Hi Rebecca, In the general case I don't have any good ideas. If your two structures have consistent residue naming and numbering then it isn't too hard to do in Python. In case your structures have consistent nomenclature, I have appended a script that will print the differences to the reply log and select the differences on the structures. You run the script simply by opening it with File->Open. --Eric

Hi Rebecca, Here's a crazy trick to see atoms in structure #1 that are not in structure #0. ~display #0 display #1 mcopy #0 #1 set v This hides all the atoms of #0, displays all the atoms of #1, then copies the visibility of atoms in #0 to matching atoms in #1. In other words it undisplays just the atoms of #1 that have mates in #0. You could abbreviate this command sequence alias ^diff ~display $1 ; display $2 ; mcopy $1 $2 set v then use diff #0 #1 diff #1 #0 Here is the mcopy documentation http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/midas/mcopy.html Tom
On Apr 11, 2013, at 2:46 PM, Rebecca Swett wrote:
Hi guys, I have a question, I have two structures that are different by just a few atoms. Is there any way I could use the selection tools in chimera to find them and display them? Hi Rebecca, In the general case I don't have any good ideas. If your two structures have consistent residue naming and numbering then it isn't too hard to do in Python. In case your structures have consistent nomenclature, I have appended a script that will print the differences to the reply log and select the differences on the structures. You run the script simply by opening it with File->Open.
--Eric
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participants (3)
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Eric Pettersen
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Rebecca Swett
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Tom Goddard