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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. | ||
− | |||
===USAGE=== | ===USAGE=== | ||
<source lang="python"> | <source lang="python"> | ||
− | create name, (selection) [,source_state [,target_state ] ] | + | create name, (selection) [, source_state [, target_state ]] |
− | |||
</source> | </source> | ||
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* selection = atoms to include in the new object | * selection = atoms to include in the new object | ||
* source_state (default: 0 - copy all states) | * source_state (default: 0 - copy all states) | ||
− | * target_state | + | * target_state = int: -1 appends after last state {default: 0} |
===PYMOL API=== | ===PYMOL API=== | ||
Line 20: | Line 18: | ||
===NOTES=== | ===NOTES=== | ||
If the source and target states are zero (default), all states will be copied. Otherwise, only the indicated states will be copied. | If the source and target states are zero (default), all states will be copied. Otherwise, only the indicated states will be copied. | ||
+ | |||
+ | Target state -1 will append new states. | ||
=== User Comments/Examples === | === User Comments/Examples === |
Revision as of 12:32, 17 April 2019
create creates a new molecule object from a selection. It can also be used to create states in an existing object.
USAGE
create name, (selection) [, source_state [, target_state ]]
- name = object to create (or modify)
- selection = atoms to include in the new object
- source_state (default: 0 - copy all states)
- target_state = int: -1 appends after last state {default: 0}
PYMOL API
cmd.create(string name, string selection, int source_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.
Target state -1 will append new states.
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