Difference between revisions of "Create"

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(SEE ALSO)
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'''create''' creates a new molecule object from a selection.  It can also be used to create states in an existing object.
 
'''create''' creates a new molecule object from a selection.  It can also be used to create states in an existing object.
 
'''NOTE''': this command has not yet been throughly tested.  
 
'''NOTE''': this command has not yet been throughly tested.  
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=== User Comments/Examples ===
 
=== User Comments/Examples ===
  
 +
===EXAMPLES===
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<source lang="python">
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# merging two multi-state objects with the create command
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# obj1 has 25 states and obj2 has 40 states
 +
 +
load multi_state_obj1, obj1
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load multi_state_obj2, obj2
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 +
# merge the two multi-state objects back to back into obj3
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# 0 indicates every states from obj1 should be included
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# 1 indicates that the first state of obj3 is the first state from obj1 etc.
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create obj3, obj1, 0, 1
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# as obj1 has 25 states, the first state of obj2 must be state 26 to create a multi-state object of obj1 and obj2 back-to-back
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# 26 indicates that the 26th state of obj3 is state nr. 1 of obj2 etc.
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create obj3, obj2, 0, 26
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# Obj3 now has 65 states (25 from obj1 and 40 from obj2)
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# save obj3 as a multi-state pdb file
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# use state=0 to get all states into one pdb file
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save obj3.pdb, obj3, state=0
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</source>
  
 
[[Category:Commands|Create]]
 
[[Category:Commands|Create]]
 
[[Category:States|Create]]
 
[[Category:States|Create]]
 
[[Category:Editing Module|Create]]
 
[[Category:Editing Module|Create]]

Revision as of 19:42, 11 February 2013

create creates a new molecule object from a selection. It can also be used to create states in an existing object. NOTE: this command has not yet been throughly tested.

USAGE

create name, (selection) [,source_state [,target_state ] ]
create name = (selection) [,source_state [,target_state ] ]    # (DEPRECATED)
  • name = object to create (or modify)
  • selection = atoms to include in the new object
  • source_state (default: 0 - copy all states)
  • target_state (default: 0)

PYMOL API

cmd.create(string name, string selection, int state, int target_state,int discrete)

NOTES

If the source and target states are zero (default), all states will be copied. Otherwise, only the indicated states will be copied.

SEE ALSO

load, copy, Extract

User Comments/Examples

EXAMPLES

# merging two multi-state objects with the create command
# obj1 has 25 states and obj2 has 40 states 

load multi_state_obj1, obj1
load multi_state_obj2, obj2

# merge the two multi-state objects back to back into obj3
# 0 indicates every states from obj1 should be included
# 1 indicates that the first state of obj3 is the first state from obj1 etc.

create obj3, obj1, 0, 1

# as obj1 has 25 states, the first state of obj2 must be state 26 to create a multi-state object of obj1 and obj2 back-to-back 
# 26 indicates that the 26th state of obj3 is state nr. 1 of obj2 etc. 

create obj3, obj2, 0, 26

# Obj3 now has 65 states (25 from obj1 and 40 from obj2)
# save obj3 as a multi-state pdb file
# use state=0 to get all states into one pdb file

save obj3.pdb, obj3, state=0