Re: [Jmol-users] Secondary structure does not match DSSP

2017-04-23 Thread Eric Martz

Dear Nicholas,

Angel is correct. By default, Jmol shows the secondary structure that 
the authors specified in the PDB file with HELIX, SHEET and TURN 
records. You will notice that often, authors do not specify TURN records 
so there are no blue turns initially. After you calculate structure, and 
color structure, turns are colored blue, and the ends of strands and 
helices may be different than before.


Also, Jmol distinguishes three kinds of helices, and gives them distinct 
colors:


 * Alpha 3.6(13)
 * 3.0(10)
 * Pi 4.4(16)

Each kind is illustrated here in JSmol:
http://proteopedia.org/w/Helices_in_Proteins

See also http://proteopedia.org/w/Secondary_structure

-Eric


On 4/23/17 4:56 AM, Angel Herráez wrote:

Hi Nicholas


However, if I issue the command $calculate structure and then redisplay, the 
structure
is then shown with a ribbon consistent with DSSP, running from 365 to 373. Can 
anyone
tell me why Jmol doesn't display this stretch according to DSSP in the first 
place?

I am not certain, but it is likely that when you load a file Jmol will use the
secondary structure declared in the PDB file, and not the DSSP result unless
you invoke this later (using calculate).

As far as I can interpret, the pdb file says beta strands for
Tyr350---Trp356
Cys370---Pro373

so  365-368  are not a beta strand





--
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot___
Jmol-users mailing list
Jmol-users@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/jmol-users


Re: [Jmol-users] Secondary structure does not match DSSP

2017-04-23 Thread Angel Herráez
Hi Nicholas 

> However, if I issue the command $calculate structure and then redisplay, the 
> structure 
> is then shown with a ribbon consistent with DSSP, running from 365 to 373. 
> Can anyone 
> tell me why Jmol doesn't display this stretch according to DSSP in the first 
> place? 

I am not certain, but it is likely that when you load a file Jmol will use the 
secondary structure declared in the PDB file, and not the DSSP result unless 
you invoke this later (using calculate).

As far as I can interpret, the pdb file says beta strands for
Tyr350---Trp356
Cys370---Pro373

so  365-368  are not a beta strand


---
El software de antivirus Avast ha analizado este correo electrónico en busca de 
virus.
https://www.avast.com/antivirus


--
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
___
Jmol-users mailing list
Jmol-users@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/jmol-users