Re: [PyMOL] Details of the morph interpolation?

2016-06-06 Thread Thomas Holder
Hi Emilia, On 03 Jun 2016, at 18:39, Emilia C. Arturo (Emily) wrote: > Thank you for the reply, Thomas. I have a few items in reply: > > 1) I have not yet tried to change the refinement settings, but (for > educational purposes, if nothing else) I would like to know what it is that > this par

Re: [PyMOL] Details of the morph interpolation?

2016-06-03 Thread Emilia C. Arturo (Emily)
Thank you for the reply, Thomas. I have a few items in reply: 1) I have not yet tried to change the refinement settings, but (for educational purposes, if nothing else) I would like to know what it is that this particular command that you typed, does: PyMOL> refine(5, "mout", sculpt_field_mask=(0x

Re: [PyMOL] Details of the morph interpolation?

2016-05-31 Thread Thomas Holder
Hi Emily, PyMOL's morphing performs two steps: (1) RigiMOL, and (2) refinement of non-backbone atoms by sculpting. The second part can be skipped with "refinement=0". Unfortunately, there is no RigiMOL publication or method documentation. The sculpting refinement tries to avoid clashes and mai

[PyMOL] Details of the morph interpolation?

2016-05-30 Thread Emilia C. Arturo (Emily)
Hello. I would like to know more about the type of interpolation that is done when morph is called, and what calculations are done at each refinement cycle. Is there a literature reference or previous forum discussion to which you can point me? >From my sifting through the internet, I settled on

[PyMOL] Details of the morph interpolation?

2016-05-30 Thread Emilia C. Arturo (Emily)
Hello. I would like to know more about the type of interpolation that is done when morph is called, and what calculations are done at each refinement cycle. Is there a reference or previous forum discussion to which you can point me? I am using MacPyMOL version 1.7.6.2. Regards, Emily. -- "St