Change selection mode programatically

Hi, I am trying to find a way to split a complex selection pattern among a number of lines in a script. I was expecting that this would be an option to the select command, but apparently it is not. I know that I can combine "select" commands by changing the selection mode to "append" in the GUI, but I am struggling to find the way of doing this from command line or from a script. Is there a way to change the selection mode to "append" without using the GUI? Thanks Mario -- +---------------------------------+ | Mario J. Borgnia, Ph. D. | | | | Lab of Cell Biology | | NIH NCI/CCR | | 50 South Drive Rm 4306 MSC 8008 | | Bethesda MD 20892-8008 | | | | Tel: (301) 594 0563 | | mborgnia@nih.gov | +---------------------------------+

Hi Mario, In command-line specifications there are operator symbols that often (but not always) allow you to specify what you want: the vertical bar “|” is for union, the ampersand “&” is for intersection, and tilde “~” is for negation. Unfortunately there are no parentheses, which can be limiting. Sometimes it also requires a bit of experimentation to verify which operations are taking priority. See “combinations” in the atom-spec docs, and also examples in the Quick Ref PDF. <http://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/midas/frameatom_spec.html> <http://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/quickref.pdf> If you are actually working with selection as opposed to simply specification, you can subtract from a selection created in an earlier command with a subsequent “~select” command. <http://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/midas/select.html#newer> For example, commands: select protein & ligand z<5 ~select :trp … would first select protein residues (amino acids) within 5 angstroms of residues classified as ligand, then deselect any tryptophans. Further, you can add to an existing selection using the union operator, for example: select sel | solvent … would add all residues classified as solvent to the existing selection. I hope this helps, Elaine ----- Elaine C. Meng, Ph.D. UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab Department of Pharmaceutical Chemistry University of California, San Francisco On Feb 7, 2015, at 1:34 PM, Mario J. Borgnia <mborgnia@nih.gov> wrote:
Hi, I am trying to find a way to split a complex selection pattern among a number of lines in a script. I was expecting that this would be an option to the select command, but apparently it is not. I know that I can combine "select" commands by changing the selection mode to "append" in the GUI, but I am struggling to find the way of doing this from command line or from a script.
Is there a way to change the selection mode to "append" without using the GUI? Thanks Mario

Elaine, You are great! It does help. Thanks for answering in real time. The solution that worked in my case is extending the selection by combination. I was missing the "selected" attribute in the combination, instead I was looking for some option like "append" to the select command. select #1:lys select selected|#1:arg select selected|#1:305.A and so on... Thanks again! Mario. PS: The shortcuts in commands, although helpful, can be confusing. Take "sel" in "sel sel|aromatic", it first stands for select and then for selected... On 02/07/2015 04:51 PM, Elaine Meng wrote:
Hi Mario, In command-line specifications there are operator symbols that often (but not always) allow you to specify what you want: the vertical bar “|” is for union, the ampersand “&” is for intersection, and tilde “~” is for negation. Unfortunately there are no parentheses, which can be limiting. Sometimes it also requires a bit of experimentation to verify which operations are taking priority. See “combinations” in the atom-spec docs, and also examples in the Quick Ref PDF.
<http://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/midas/frameatom_spec.html> <http://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/quickref.pdf>
If you are actually working with selection as opposed to simply specification, you can subtract from a selection created in an earlier command with a subsequent “~select” command. <http://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/midas/select.html#newer>
For example, commands:
select protein & ligand z<5 ~select :trp
… would first select protein residues (amino acids) within 5 angstroms of residues classified as ligand, then deselect any tryptophans.
Further, you can add to an existing selection using the union operator, for example:
select sel | solvent
… would add all residues classified as solvent to the existing selection.
I hope this helps, Elaine ----- Elaine C. Meng, Ph.D. UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab Department of Pharmaceutical Chemistry University of California, San Francisco
On Feb 7, 2015, at 1:34 PM, Mario J. Borgnia <mborgnia@nih.gov> wrote:
Hi, I am trying to find a way to split a complex selection pattern among a number of lines in a script. I was expecting that this would be an option to the select command, but apparently it is not. I know that I can combine "select" commands by changing the selection mode to "append" in the GUI, but I am struggling to find the way of doing this from command line or from a script.
Is there a way to change the selection mode to "append" without using the GUI? Thanks Mario
participants (2)
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Elaine Meng
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Mario J. Borgnia