Difference between revisions of "Removealt"

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(New page: = Overview = removeAlt removes all atoms from '''obj''' that have alternate locations but aren't altloc '''keep'''. = The Code = <source lang="python"> def removeAlt(obj="", keep="A")...)
 
 
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= Overview =
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{{Infobox script-repo
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|type      = script
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|filename  = removealt.py
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|author    = [[User:Inchoate|Jason Vertrees]]
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|license  = Free
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}}
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[[removeAlt]] removes all atoms from '''obj''' that have alternate locations but aren't altloc '''keep'''.
 
[[removeAlt]] removes all atoms from '''obj''' that have alternate locations but aren't altloc '''keep'''.
  
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= The Code =
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== Usage ==
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<source lang="python">
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def removeAlt(obj="", keep="A"):
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removealt [ obj [, keep ]]
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        """
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        removeAlt -- remove all alternate location-atoms not of altloc "keep" from object.
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== Example ==
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<syntaxhighlight lang="python">
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import removealt
  
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        input:
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fetch 1hxb, async=0
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                obj -- the object(s) to remove the atoms frmo
 
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                keep -- which type of alt loc to keep
 
  
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        output: none -- removes atoms
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select ligA, alt a
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select ligB, alt b
  
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        examples:
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count_atoms ligA    # 49 atoms
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                removeAlt # remove all altLocations that aren't altloc A
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count_atoms ligB    # 49 atoms
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                removeAlt pdbID C  # remove all but C altlocations from pdbID
 
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        """
 
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        if ( obj == "" ):
 
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                obj="(all)"
 
  
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        # select & remove all non A altlocs
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removealt 1hxb, b
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        remStr = "%s and not (alt ''+%s)" % (obj, keep);
 
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        cmd.remove(remStr);
 
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        # reset the PDB information
 
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        cmd.alter( obj, "alt=''")
 
  
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cmd.extend("removeAlt", removeAlt)
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count_atoms ligA    # 0 atoms
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</source>
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count_atoms ligB    # 49 atoms
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</syntaxhighlight>
  
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= See Also =
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== See Also ==
 
[[Property_Selectors#Alternate_Locations|Handling Alternate Locations]] and [[alter]]
 
[[Property_Selectors#Alternate_Locations|Handling Alternate Locations]] and [[alter]]
  
 
[[Category:Script_Library]]
 
[[Category:Script_Library]]
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[[Category:ObjSel_Scripts]]
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[[Category:Pymol-script-repo]]

Latest revision as of 11:04, 15 January 2012

Type Python Script
Download removealt.py
Author(s) Jason Vertrees
License Free
This code has been put under version control in the project Pymol-script-repo

removeAlt removes all atoms from obj that have alternate locations but aren't altloc keep.

Usage

removealt [ obj [, keep ]]

Example

import removealt

fetch 1hxb, async=0

select ligA, alt a
select ligB, alt b

count_atoms ligA    # 49 atoms
count_atoms ligB    # 49 atoms

removealt 1hxb, b

count_atoms ligA    # 0 atoms
count_atoms ligB    # 49 atoms

See Also

Handling Alternate Locations and alter

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