[PyMOL] Iterate scenes smoothly

2016-05-09 Thread Leandro Bortot
Dear users,

 I'm trying to make a movie during which a surface changes its color. I
followed the tutorials from the wiki and successfully created two scenes
with the desired colors.
 However, I can't make them iterate smoothly. Instead, The first half
of the frames display the first scene and the second half the second scene.

 I'm using the following commands:

mset 1x 60
scene 001, store
scene 002, store
frame 1
mview store, scene=001
frame 60
mview store, scene=002
mview interpolate

Also, the scenes doesn't change smoothly when I press PgUp/Down.

 Am I doing something wrong?

Best regards,
Leandro
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[PyMOL] How can I iterate scenes smoothly?

2016-05-15 Thread Leandro Bortot
Dear users,

 I'm trying to make a movie during which a surface changes its color. I
followed the tutorials from the wiki and successfully created two scenes
with the desired colors.
 However, I can't make them iterate smoothly. Instead, The first half
of the frames display the first scene and the second half the second scene.

 I'm using the following commands:

mset 1x 60
scene 001, store
scene 002, store
frame 1
mview store, scene=001
frame 60
mview store, scene=002
mview interpolate

Also, the scenes doesn't change smoothly when I press PgUp/Down, as the
wiki say they should.

 Am I doing something wrong?

Best regards,
Leandro
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Re: [PyMOL] (no subject)

2017-04-04 Thread Leandro Bortot
Hi,

 You probably have a pdb file which has multiple possible conformations
for some residues. You can check this by visual inspection of such
residues. They have two side chains coming from the same CA. In the text
file you can see the conformations marked as A and B in the residue name
field, e.g. APHE BPHE.

 If that is the case, you have to choose one of them either manually or
with some other molecular modeling software, e.g. gromacs.

I hope it helps!
Regards,
Leandro



On Mon, Apr 3, 2017 at 5:47 PM, Vivien Schoonenberg <
vivienschoonenb...@gmail.com> wrote:

> Hi there,
>
>
>
> I’m saving the sequences from each chain of the PDB via pymol with
>
> >>save something.fasta, chain A
>
>
>
> This is the same sequence that is shown in pymol and seems to correspond
> to the structure I am looking at.
>
> However, when I loaded new B-factors in my structure, I noticed something
> funny happened. The list which I made corresponding to the sequence I saved
> earlier was too short.
>
> I  found out by iterating that some residues repeated themselves(>>iterate
> (chain A and n. CA), print resn). They carry the same residue number, and
> are not shown in the sequence. However, when I load my B-factors my list
> shifts because of these repeats, making it too short for the complete chain
> and loading the wrong value onto residues.
>
>
>
> Does anyone know why this happens and how I can fix this?
>
>
>
> Thank you,
>
> Vivien
>
> 
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Re: [PyMOL] Install pymol as module in python in linux

2017-08-09 Thread Leandro Bortot
Hi,

 I also had some problem with this. The "trick", I believe, is to
compile/install pymol with:
python2.7 setup.py build install --home=path_to_pymol/
--install-lib=path_to_pymol/modules/ --install-scripts=path_to_pymol/

 The part you are interested in is the modules. I needed to install
something called msgpack-c before compiling pymol.

 In addition, you need to add path_to_pymol/modules/ to your python
paths. You can add these to the .bashrc file:

export PYMOL_PATH=path_to_pymol/
export PYTHONPATH=$PYTHONPATH:$PYMOL_PATH/modules:

Have fun!
Leandro



On Tue, Jul 25, 2017 at 8:27 PM, Vivien Schoonenberg <
vivienschoonenb...@gmail.com> wrote:

> Hi all,
>
>
>
> I have been trying for a while, but cannot seem to figure out how to
> install pymol on my unix server so that I can run pymol from within a
> python script. (So that I can use it with the command ‘ import pymol’. I
> did manage to do this on my windows with a wheel, but don’t know how to
> solve it on my unix system)
>
>
>
> Any tips would be very welcome!
>
>
>
> Thanks,
>
> Vivien
>
> 
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