Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] ILLUSTRATE in PYMOL

2023-08-16 Thread Helena Taberman
Hi Faisal,

Not sure about ChimeraX, but you can do quite amazing things with coot as 
Lucrezia Catapano has shown to us. Tutorial: 
https://www.youtube.com/watch?v=tCpCmBTgt6s

Cheers,
Helena

--
Helena Taberman
Beamline Scientist, PhD
Beamline P11 (PETRA III)
Deutsches Elektronen-Synchrotron DESY
Notkestrasse 85
22607 Hamburg
Germany

Phone: +49 40 8998 5546
Email: helena.taber...@desy.de

> On 16. Aug 2023, at 13:46, khaja faisal tarique 
>  wrote:
> 
> Thanks all. I am almost there making similar figs as in ILLUSTRATE. It is 
> amazing. Just wondering if we can make similar stuffs in ChimeraX ?.
> 
> Faisal
> 
> On Tue, 15 Aug 2023, 23:22 Jared Sampson,  <mailto:jared.samp...@columbia.edu>> wrote:
> Hi Faisal - 
> 
> In addition to the `specular`, `ray_trace_mode`, and `ray_trace_gain` 
> settings Blaine pointed out, you can also adjust the `direct` and `ambient` 
> lighting settings, as well as `light_count` (which I believe only affects 
> direct and specular lighting, not ambient).  For example, these worked pretty 
> well for me:
> 
> ```
> set ray_trace_mode, 3
> set ray_trace_gain, 0
> set specular, 0
> set direct, 0
> set ambient, 0.9
> ```
> 
> Note that you'll have to ray trace (`ray`) to see the outlines.  Also it 
> looks like the tRNA image on the CCSB Illustrate site uses slightly different 
> colors for different parts of the molecule (phosphate, sugar, base), which is 
> a nice effect.
> 
> Hope that helps.
> 
> Cheers,
> Jared
> 
> 
> On Tue, Aug 15, 2023 at 10:40 PM Mooers, Blaine H.M. (HSC) 
> mailto:blaine-moo...@ouhsc.edu>> wrote:
> Hi Faisal,
> 
> I made a number of such figures several years ago.
> I finally found the code. 
> 
> Load the molecule of interest into PyMOL 
> and paste the following code onto the command line
> just below the command history window.
> I was using our school colors: crimson and cream.
> Ligands are colored crimson. Change to suit 
> your needs.
> 
> 
> as surface
> set_color crimsom, [165,42,42];
> set_color cream, [221,203,164];
> color crimsom, org;
> color cream, not org;
> 
> remove solvent
> set_color bground, [252,250,249];
> bg_color bground;
> # set the view
> # orient all within 8 of org
> # set the lights, ray tracing setttings
> # to get the Goodsell-like rendering
> unset specular
> set ray_trace_gain, 0
> set ray_trace_mode, 3
> bg_color white
> set ray_trace_color, black
> set depth_cue, 0
> #ray
> png Goodsell1test.png, 1200,1200,600,1
> 
> 
> Best regards,
> 
> Blaine
> 
> Blaine Mooers, Ph.D.
> Associate Professor
> Department of Biochemistry and Molecular Biology, College of Medicine
> Director of the Laboratory of Biomolecular Structure and Function
> Academic Director, Biomolecular Structure Core, COBRE in Structural Biology
> Full Member, Cancer Biology Program, Stephenson Cancer Center
> University of Oklahoma Health Sciences Center
> 
> Mailing Address:
> 975 NE 10th Street, BRC 466
> Oklahoma City, OK 73104-5419
> Office: 405-271-8300 Lab: 405-271-8312 
> 
> Websites:
> Faculty page: 
> https://basicsciences.ouhsc.edu/bmb/Faculty/bio_details/mooers-blaine-hm-phd 
> <https://basicsciences.ouhsc.edu/bmb/Faculty/bio_details/mooers-blaine-hm-phd>
> BSC-OKC (LBSF): 
> https://research.ouhsc.edu/Core-Facilities/Laboratory-of-Biomolecular-Structure-and-Function
>  
> <https://research.ouhsc.edu/Core-Facilities/Laboratory-of-Biomolecular-Structure-and-Function>
> COBRE in Structural Biology: https://www.ou.edu/structuralbiology 
> <https://www.ou.edu/structuralbiology>
> From: CCP4 bulletin board  <mailto:CCP4BB@JISCMAIL.AC.UK>> on behalf of Pius Padayatti 
> mailto:ppadaya...@gmail.com>>
> Sent: Tuesday, August 15, 2023 8:24 PM
> To: CCP4BB@JISCMAIL.AC.UK <mailto:CCP4BB@JISCMAIL.AC.UK> 
> mailto:CCP4BB@JISCMAIL.AC.UK>>
> Subject: [EXTERNAL] Re: [ccp4bb] ILLUSTRATE in PYMOL
>  
> https://pymolwiki.org/index.php/APBS 
> <https://urldefense.com/v3/__https://pymolwiki.org/index.php/APBS__;!!GNU8KkXDZlD12Q!9eD_ProG0wUZ-JErjGALFQIrpgJlQO_bYGkQ0_iklgY0qfFv6IblDBIQ_JwWVq4rFViNFwN_v8t_mnr6vVLzKnD4$>
> Pius Padayatti
> 
> 
> 
> 
> On Tue, Aug 15, 2023 at 5:20 PM khaja faisal tarique 
> mailto:khajafaisaltari...@gmail.com>> wrote:
> Hi everyone
> 
> Is there any way to make surface representation of a protein structure 
> similar to the 'Illustrate: Non-photorealistic Biomolecular Illustration' 
> (https://ccsb.scripps.edu/illustrate/ 
> <https://urldefense.com/v3/__https://ccsb.scripps.edu/illustrate/__;!!GNU8KkXDZlD12Q!9eD_ProG0wUZ-JE

Re: [ccp4bb] Strange Ancient Diffraction Pattern...

2015-04-01 Thread Helena Taberman
I think we used the same version of Mosflm when we managed to solve this 
strange pattern.

[cid:4EF3709E-41D5-4A38-8CE9-064D75929422@uefad.uef.fi]


Helena Taberman, M.Sc.

University of Eastern Finland
Department of Chemistry
Joensuu Campus
P.O. Box 111
FI-80101 Joensuu, FINLAND

Mobile: +358 50 337 2488


Finke Aaron (PSI) mailto:aaron.fi...@psi.ch>> kirjoitti 
1.4.2015 kello 15.27:

I have seen this before, actually. It appears to be multiple lattices, but if 
you carefully index it with Loxflm (a less well-known version of Mosflm), I was 
able to get a solution from bagelecular replacement:

 

Note that the sesame seeds are disordered.

Hope that helps,
Aaron
--
Dr. Aaron Finke
Postdoctoral Fellow
Swiss Light Source
WSLA/217
CH-5232 Villigen-PSI
phone: +41 56 310 5652
e-mail: aaron.fi...@psi.ch<mailto:aaron.fi...@psi.ch>

On Apr 1, 2015, at 13:03, Keller, Jacob 
mailto:kell...@janelia.hhmi.org>> wrote:

Can anyone index this? It's got mostly split spots and a strange diffuse 
scattering background

JPK

***
Jacob Pearson Keller, PhD
Looger Lab/HHMI Janelia Research Campus
19700 Helix Dr, Ashburn, VA 20147
email: kell...@janelia.hhmi.org<mailto:kell...@janelia.hhmi.org>
***