[PyMOL] Issues when displaying surfaces of two objects in two distinct display grids

2020-01-20 Thread Vedat Durmaz

Hi altogether, 

using Pymol open source 2.4, I'm trying to simultaneously display two
objects (OB1 & OB2) side-by-side in a grid (>Display>Grid>By object). So
I have one object (OB1) on the left part and one (OB2) on the right.

Now, in order to have two surfaces on the left covering different areas
of the protein, I need to partially duplicate the object on the left
(OB1). Both surfaces on the left are shown properly.

But if I do the same with the second object (OB2, on the right part of
the screen), I run into issues: for none of the objects created as
duplicates (copies) from OB2 I am able to display the corresponding
surface. For the original object (OB2) it works. But this is not what I
want.

Does anyone know what's going on and how to circumvent this problem?

Many thanks in advance & best wishes,

Vedat




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Re: [PyMOL] How to print the time stample on each frame of the movie for molecular dynamics trajectory in Pymol?

2020-01-20 Thread Thomas Holder
Hi Yeping,

It's possible to create a such a label, but unfortunately it's a bit 
complicated. The following script places a label with 2500 states in the upper 
right corner of the display area.

# create a discrete multi-state object with one labeled atom per state
pseudoatom tmp, label=pending
python
for i in range(2500):
cmd.label("tmp", "'{} ps'".format(i * 80))
cmd.create('timestaple', 'tmp', 1, i + 1, discrete=1)
python end
delete tmp
# anchor the label in the upper right corner
set label_screen_point, [1, 1, 0], timestaple
set label_relative_mode, 1, timestaple
# align the label to the bottom left of the anchor
set label_position, [-1, -1, 0], timestaple


Those label settings are documented here:
https://pymol.org/d/setting:label

Hope that helps.

Cheers,
  Thomas


> On Jan 15, 2020, at 5:22 AM, sunyeping via PyMOL-users 
>  wrote:
> 
> Dear All,
> 
> I load a molecular dynamics (gromacs) trajectory into Pymol and wish to make 
> a movie with it. The trajectory contains 2500 frames, corresponding to 200 ns 
> simulation time, so each frame represents 80 ps. I wish to print time stample 
> on each stample. For example, on the first frame, " 0 ns" is printed; on the 
> second frame, "80 ps" is printed; on the third frame, "160 ps" is printed. 
> How I cannot find any clue how to do this. Could you have any clue how to 
> finish this task? 
> 
> Best regards,
> Yeping Sun
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--
Thomas Holder
PyMOL Principal Developer
Schrödinger, Inc.



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Re: [PyMOL] diaplay actural sizes in Pymol

2020-01-20 Thread Thomas Holder
Hi Ting,

This will display the assemblies (biological units) in a grid. The result 
should look like in the attached image.

set assembly
set all_states
set grid_mode
fetch 1igt 1s58 3j3i 2ztn 6ui6 5wtf 3iyo, type=mmtf
zoom

The "assembly" setting replaces the use of type=pdb1. It works with type=cif 
and type=mmtf.

https://pymolwiki.org/index.php/Assembly

Hope that helps.

Cheers,
  Thomas




> On Jan 20, 2020, at 7:21 AM, Ting Hu via PyMOL-users 
>  wrote:
> 
> Dear Pymol-users support,
> 
> I want to compare the sizes of different virus and IgG in Pymol. But they are 
> exhibiting similar sizes. how can i change that?
> 
> the commands I enter are as below:
> fetch 1igt, type=pdb1
> fetch 1s58, type=pdb1 set all_states, on
> fetch 3j3i, type=pdb1 set all_states, on
> fetch 2ztn, type=pdb1 set all_states, on
> fetch 6ui6, type=pdb1 set all_states, on
> fetch 5wtf, type=pdb1 set all_states, on
> fetch 3iyo, type=pdb1 set all_states, on
> fetch 1s58, type=pdb1 set all_states, on
> 
> Best regrds
> Ting
>  
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Thomas Holder
PyMOL Principal Developer
Schrödinger, Inc.

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