[PyMOL] Execution time of color command

2017-02-28 Thread Leonhard Heizinger
Hi, coloring a certain residue in an object takes about 4 ms when only one object is loaded in PyMol: %time cmd.color("blue", "obj1of1 and resi 1") CPU times: user 3.33 ms, sys: 0 ns, total: 3.33 ms Wall time: 4.13 ms Performing the same operation when a lot of other objects (~300) are load

Re: [PyMOL] Execution time of color command

2017-02-28 Thread Thomas Holder
Hi Leonhard, Very interesting analysis. I'm wondering if this slowdown actually scales with number of objects or rather total number of atoms. If your color scheme lookup by (object, resi) key is fast in Python (let's say you have it all in a dictionary), then you can use cmd.alter() with a sin

[PyMOL] PyMOL for iPad issues

2017-02-28 Thread João Oliveira Jr .
Hi Please, when using PyMOL app for iPad is that possible to set up multiple structures from diffent PDB codes at the same time? I'm a Immunology teacher and I'd like a slide with 04 antibodies (PDB codes: 1IGY, 1IGT, 1HZH, and 5DK3) *aligned* *side by side* to save a screenshot to Photos. When

Re: [PyMOL] PyMOL for iPad issues

2017-02-28 Thread Andreas Forster
Dear João, type set grid_mode, on to see your models side by side. You might have to align them first. Use the command super model1, model2 for that. All best. Andreas On Tue, Feb 28, 2017 at 5:27 PM, João Oliveira Jr. wrote: > Hi > > Please, when using PyMOL app for iPad is that pos

Re: [PyMOL] PyMOL for iPad issues

2017-02-28 Thread João Oliveira Jr .
Dear Andreas Where do I find this typing command option? Em ter, 28 de fev de 2017 às 13:53, Andreas Forster escreveu: > Dear João, > > type > > set grid_mode, on > > to see your models side by side. You might have to align them first. Use > the command > > super model1, model2 > > for that.

Re: [PyMOL] PyMOL for iPad issues

2017-02-28 Thread Thomas Holder
Dear João, The Mobile (iPad) PyMOL interface is rather limited and does not expose these options, unfortunately. The only way to display a "grid_mode=on" scene is to load a PyMOL session file (.pse) which already has the setting enabled. Cheers, Thomas On 28 Feb 2017, at 11:57, João Oliveira

Re: [PyMOL] change in VRML format output

2017-02-28 Thread Thomas Holder
Hi Paul, Interesting observation. This change was not intentional, it's a side effect of a very low level change in the geometry generation. We should be able to optimize this for the next PyMOL release. Cheers, Thomas On 24 Feb 2017, at 12:02, Paul Paukstelis wrote: > There seem to have b

Re: [PyMOL] change in VRML format output

2017-02-28 Thread Paul Paukstelis
Thomas, Thanks. I re-wrote my blender scripts to accommodate both version, since it seems like other visualization programs generally output bonds as two cylinders. What I would love, though I'm not even sure its possible with vrml2, would be export some 'additional' info (like chain, resnum) t

Re: [PyMOL] PyMOL for iPad issues

2017-02-28 Thread João Oliveira Jr .
Thank you all for your time. Someone could please explain me why some structures aren't fully displayed? For example, in 1QFU, I just get 01 HA attached to 01 Fab antibody arm, instead of 03 HA + 03 Fabs... Em ter, 28 de fev de 2017 às 14:25, Thomas Holder < thomas.hol...@schrodinger.com> escrev

Re: [PyMOL] PyMOL for iPad issues

2017-02-28 Thread Thomas Holder
Hi João, 1QFU has a three-fold symmetry, and only one copy of each molecule is contained in the asymmetric unit. PyMOL (on the desktop) can load the biological assembly like this: PyMOL> set assembly, 1 PyMOL> fetch 1qfu Hope that helps. Cheers, Thomas On 28 Feb 2017, at 16:16, João Olivei