[PyMOL] Fwd: Translate command seems to translate along an arbitrary axis

2013-04-17 Thread Kyle Sutherland-Cash
Hello everyone,

I've been trying to write a script to orient two particular molecules with
respect to one another. I do this by calculating a translation vector
between the two and then using cmd.translate to move the second object to
the desired location. However, this didn't seem to have the desired effect
and moved the second molecule somewhere else.

I investigated further and tried using a translation of [1, 0, 0], which I
supposed would just alter the x coordinate of my molecule. Instead it
translated the molecule by 1A (I checked the magnitude of the actual
translation to be sure) along an arbitrary axis. This axis also changed
after deleting and recreating the object with its original coordinates.

Am I doing something wrong, or did I not understand properly how translate
works? I've pasted some sample input/output just below.

Thanks,

Kyle



First time:

PyMOLiterate_state 1, glycan* and id 1, print x, y, z
3.3945341 1.4326853 -0.0
 IterateState: iterated over 1 atom coordinate states.
PyMOLtranslate [1, 0, 0], glycan*
PyMOLiterate_state 1, glycan* and id 1, print x, y, z
3.77618098259 2.14793467522 -0.585493266582
 IterateState: iterated over 1 atom coordinate states.



Second time:

PyMOLiterate_state 1, glycan* and id 1, print x, y, z
3.3945341 1.4326853 -0.0
 IterateState: iterated over 1 atom coordinate states.
PyMOLtranslate [1, 0, 0], glycan*
PyMOLiterate_state 1, glycan* and id 1, print x, y, z
2.96896576881 2.08610153198 -0.626740753651
 IterateState: iterated over 1 atom coordinate states.


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Re: [PyMOL] Fwd: Translate command seems to translate along an arbitrary axis

2013-04-17 Thread Thomas Holder
Hi Kyle,

the translate command has a camera argument, which controls whether
the vector is in camera space (default) or in model space. You want
model space, so you need:

PyMOLtranslate [1, 0, 0], glycan*, camera=0

Cheers,
  Thomas

Kyle Sutherland-Cash wrote, On 04/17/13 19:47:
 Hello everyone,
 
 I've been trying to write a script to orient two particular molecules
 with respect to one another. I do this by calculating a translation
 vector between the two and then using cmd.translate to move the second
 object to the desired location. However, this didn't seem to have the
 desired effect and moved the second molecule somewhere else.
 
 I investigated further and tried using a translation of [1, 0, 0], which
 I supposed would just alter the x coordinate of my molecule. Instead it
 translated the molecule by 1A (I checked the magnitude of the actual
 translation to be sure) along an arbitrary axis. This axis also changed
 after deleting and recreating the object with its original coordinates.
 
 Am I doing something wrong, or did I not understand properly how
 translate works? I've pasted some sample input/output just below.
 
 Thanks,
 
 Kyle
 
 
 
 First time:
 
 PyMOLiterate_state 1, glycan* and id 1, print x, y, z
 3.3945341 1.4326853 -0.0
  IterateState: iterated over 1 atom coordinate states.
 PyMOLtranslate [1, 0, 0], glycan*
 PyMOLiterate_state 1, glycan* and id 1, print x, y, z
 3.77618098259 2.14793467522 -0.585493266582
  IterateState: iterated over 1 atom coordinate states.
 
 
 
 Second time:
 
 PyMOLiterate_state 1, glycan* and id 1, print x, y, z
 3.3945341 1.4326853 -0.0
  IterateState: iterated over 1 atom coordinate states.
 PyMOLtranslate [1, 0, 0], glycan*
 PyMOLiterate_state 1, glycan* and id 1, print x, y, z
 2.96896576881 2.08610153198 -0.626740753651
  IterateState: iterated over 1 atom coordinate states.
 
 

-- 
Thomas Holder
PyMOL Developer
Schrödinger Contractor

--
Precog is a next-generation analytics platform capable of advanced
analytics on semi-structured data. The platform includes APIs for building
apps and a phenomenal toolset for data science. Developers can use
our toolset for easy data analysis  visualization. Get a free account!
http://www2.precog.com/precogplatform/slashdotnewsletter
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