Re: [PyMOL] CONECT table

2014-10-09 Thread Markus Heller
Thanks, works beautifully!

Just FYI, it's not my structure, I was tasked with making a few pretty 
pictures, that's all :)

Markus

From: Engin Özkan [mailto:eoz...@uchicago.edu]
Sent: Tuesday, October 07, 2014 7:35 PM
To: pymol-users@lists.sourceforge.net
Subject: Re: [PyMOL] CONECT table

fetch 
hide everything
show cartoon, all
select NlinkedGlyco, resn NAG+BMA+MAN+FUC or byres (polymer within 2.0 of resn 
NAG+BMA+MAN+FUC)
show sticks, NlinkedGlyco
hide sticks, name C+CO+N

This should do.

Also, are you sure about NDG? If you are talking about N-linked glycosylation, 
as far as I know, there are no NDG (alpha monomer of N-actyl-D-glucosamine) in 
glycoproteins. NDG in N-linked sugars is usually an incorrectly modeled NAG 
(beta-N-acetyl-D-glucosamine), and the PDB is replete with this mistake (about 
a third of N-linked sugars are incorrectly named/modeled according to a paper 
by Thomas Lütteke). If this is your structure, I suggest you correct it. If you 
have to have NDG (because of an incorrect existing file from PDB), then add NDG 
to the two places I have common monomer names for sugars. Also, add galactose 
and sialic acid to that list; I don't remember their three-letter codes of the 
top of my head.

Engin
On 10/7/14 2:43 PM, Markus Heller wrote:

D'uh.  Thanks for pointing this out.



Follow-up question: I want to show my glycosylated protein as cartoon, with the 
glycosides *and* the side chains they're attached to shown in sticks.  How do I 
do that?



I show the protein as cartoon:



Load foo.pdb

Hide lines

As cartoon



Then I select the glycosides



Select gluco, resn NDG

Show sticks, gluco



This only shows me the glycoside, but NOT the side chain it's attached to.



I tried



Select gluco, bound_to resn NDG

Show sticks, gluco



But that doesn't work, shows no side chains.



Any help much appreciated!



Thanks and Cheers

Markus



-Original Message-

From: David Hall [mailto:li...@cowsandmilk.net]

Sent: Monday, October 06, 2014 4:40 PM

To: Markus Heller

Cc: pymol-users@lists.sourceforge.net<mailto:pymol-users@lists.sourceforge.net>

Subject: Re: [PyMOL] CONECT table



http://www.pymolwiki.org/index.php/Connect_mode



-David



On Oct 6, 2014, at 6:35 PM, Markus Heller 
<mailto:mhel...@cdrd.ca> wrote:



Hello,



How can I get PYMOL to use the CONECT table from a PDB file?  My protein is 
glycosylated, and I'd like to properly and automatically display the glycosides 
including their linkage to the protein.



Thanks and Cheers

Markus



--

Markus Heller, Ph.D.

NMR Scientist

CDRD - The Centre for Drug Research and Development

2405 Wesbrook Mall, Fourth Floor | Vancouver, BC  V6T 1Z3 | Main:

(604) 827-1147

Direct: (604) 827-1122 | F: (604) 827-1299 | E: 
mhel...@cdrd.ca<mailto:mhel...@cdrd.ca> |

www.cdrd.ca<http://www.cdrd.ca>













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Engin Özkan, Ph.D.

Assistant Professor

Dept of Biochemistry and Molecular Biology

University of Chicago

Phone: (773) 834-5498

http://ozkan.uchicago.edu
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Re: [PyMOL] CONECT table

2014-10-09 Thread Markus Heller
Thanks for the info about the Pymol wiki page on Selection algebra. I looked at 
it before, but I must have never gotten the proper syntax ☹

From: Andreas Warnecke [mailto:4ndreas.warne...@gmail.com]
Sent: Tuesday, October 07, 2014 4:26 PM
To: Markus Heller
Cc: David Hall; pymol-users@lists.sourceforge.net
Subject: Re: [PyMOL] CONECT table


Hi,

It appears that the following:
Select gluco, bound_to resn NDG
Show sticks, gluco

does not work. I'm not sure if the glycosylation is handled as a separate 
residue, but you could try:
select glucoasp, byres (neighbor (resn NDG))
show sticks, glucoasp

FYI: There are pages on selection algebra on the Pymol wiki that may give more 
inspiration.

Hope this gets you started,

/Andreas
On Oct 7, 2014 10:02 PM, "Markus Heller" 
mailto:mhel...@cdrd.ca>> wrote:
D'uh.  Thanks for pointing this out.

Follow-up question: I want to show my glycosylated protein as cartoon, with the 
glycosides *and* the side chains they're attached to shown in sticks.  How do I 
do that?

I show the protein as cartoon:

Load foo.pdb
Hide lines
As cartoon

Then I select the glycosides

Select gluco, resn NDG
Show sticks, gluco

This only shows me the glycoside, but NOT the side chain it's attached to.

I tried

Select gluco, bound_to resn NDG
Show sticks, gluco

But that doesn't work, shows no side chains.

Any help much appreciated!

Thanks and Cheers
Markus

-Original Message-
From: David Hall [mailto:li...@cowsandmilk.net<mailto:li...@cowsandmilk.net>]
Sent: Monday, October 06, 2014 4:40 PM
To: Markus Heller
Cc: pymol-users@lists.sourceforge.net<mailto:pymol-users@lists.sourceforge.net>
Subject: Re: [PyMOL] CONECT table

http://www.pymolwiki.org/index.php/Connect_mode

-David

> On Oct 6, 2014, at 6:35 PM, Markus Heller 
> mailto:mhel...@cdrd.ca>> wrote:
>
> Hello,
>
> How can I get PYMOL to use the CONECT table from a PDB file?  My protein is 
> glycosylated, and I'd like to properly and automatically display the 
> glycosides including their linkage to the protein.
>
> Thanks and Cheers
> Markus
>
> --
> Markus Heller, Ph.D.
> NMR Scientist
> CDRD - The Centre for Drug Research and Development
> 2405 Wesbrook Mall, Fourth Floor | Vancouver, BC  V6T 1Z3 | Main:
> (604) 827-1147
> Direct: (604) 827-1122 | F: (604) 
> 827-1299 | E: 
> mhel...@cdrd.ca<mailto:mhel...@cdrd.ca> |
> www.cdrd.ca<http://www.cdrd.ca>
>
>
>
>
>
>
> Follow us:
>
> This email and any files transmitted with it are confidential and intended 
> solely for the addressee.  If you are not the named addressee you should not 
> disseminate, distribute, copy, or alter this email.
>
>
>
>
> --
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Re: [PyMOL] CONECT table

2014-10-07 Thread Engin Özkan

fetch /
hide everything
show cartoon, all
select NlinkedGlyco, resn NAG+BMA+MAN+FUC or byres (polymer within 2.0 
of resn NAG+BMA+MAN+FUC)

show sticks, NlinkedGlyco
hide sticks, name C+CO+N

This should do.

Also, are you sure about NDG? If you are talking about N-linked 
glycosylation, as far as I know, there are no NDG (alpha monomer of 
N-actyl-D-glucosamine) in glycoproteins. NDG in N-linked sugars is 
usually an incorrectly modeled NAG (beta-N-acetyl-D-glucosamine), and 
the PDB is replete with this mistake (about a third of N-linked sugars 
are incorrectly named/modeled according to a paper by Thomas Lütteke). 
If this is your structure, I suggest you correct it. If you have to have 
NDG (because of an incorrect existing file from PDB), then add NDG to 
the two places I have common monomer names for sugars. Also, add 
galactose and sialic acid to that list; I don't remember their 
three-letter codes of the top of my head.


Engin

On 10/7/14 2:43 PM, Markus Heller wrote:

D'uh.  Thanks for pointing this out.

Follow-up question: I want to show my glycosylated protein as cartoon, with the 
glycosides *and* the side chains they're attached to shown in sticks.  How do I 
do that?

I show the protein as cartoon:

Load foo.pdb
Hide lines
As cartoon

Then I select the glycosides

Select gluco, resn NDG
Show sticks, gluco

This only shows me the glycoside, but NOT the side chain it's attached to.

I tried

Select gluco, bound_to resn NDG
Show sticks, gluco

But that doesn't work, shows no side chains.

Any help much appreciated!

Thanks and Cheers
Markus

-Original Message-
From: David Hall [mailto:li...@cowsandmilk.net]
Sent: Monday, October 06, 2014 4:40 PM
To: Markus Heller
Cc: pymol-users@lists.sourceforge.net
Subject: Re: [PyMOL] CONECT table

http://www.pymolwiki.org/index.php/Connect_mode

-David


On Oct 6, 2014, at 6:35 PM, Markus Heller  wrote:

Hello,

How can I get PYMOL to use the CONECT table from a PDB file?  My protein is 
glycosylated, and I'd like to properly and automatically display the glycosides 
including their linkage to the protein.

Thanks and Cheers
Markus

--
Markus Heller, Ph.D.
NMR Scientist
CDRD - The Centre for Drug Research and Development
2405 Wesbrook Mall, Fourth Floor | Vancouver, BC  V6T 1Z3 | Main:
(604) 827-1147
Direct: (604) 827-1122 | F: (604) 827-1299 | E: mhel...@cdrd.ca |
www.cdrd.ca






Follow us:

This email and any files transmitted with it are confidential and intended 
solely for the addressee.  If you are not the named addressee you should not 
disseminate, distribute, copy, or alter this email.




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Assistant Professor
Dept of Biochemistry and Molecular Biology
University of Chicago
Phone: (773) 834-5498
http://ozkan.uchicago.edu

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Re: [PyMOL] CONECT table

2014-10-07 Thread Andreas Warnecke
Oh, and it should be glucoasn, of course. :-P
On Oct 8, 2014 1:26 AM, "Andreas Warnecke" <4ndreas.warne...@gmail.com>
wrote:

> Hi,
>
> It appears that the following:
> Select gluco, bound_to resn NDG
> Show sticks, gluco
>
> does not work. I'm not sure if the glycosylation is handled as a separate
> residue, but you could try:
> select glucoasp, byres (neighbor (resn NDG))
> show sticks, glucoasp
>
> FYI: There are pages on selection algebra on the Pymol wiki that may give
> more inspiration.
>
> Hope this gets you started,
>
> /Andreas
> On Oct 7, 2014 10:02 PM, "Markus Heller"  wrote:
>
>> D'uh.  Thanks for pointing this out.
>>
>> Follow-up question: I want to show my glycosylated protein as cartoon,
>> with the glycosides *and* the side chains they're attached to shown in
>> sticks.  How do I do that?
>>
>> I show the protein as cartoon:
>>
>> Load foo.pdb
>> Hide lines
>> As cartoon
>>
>> Then I select the glycosides
>>
>> Select gluco, resn NDG
>> Show sticks, gluco
>>
>> This only shows me the glycoside, but NOT the side chain it's attached to.
>>
>> I tried
>>
>> Select gluco, bound_to resn NDG
>> Show sticks, gluco
>>
>> But that doesn't work, shows no side chains.
>>
>> Any help much appreciated!
>>
>> Thanks and Cheers
>> Markus
>>
>> -Original Message-
>> From: David Hall [mailto:li...@cowsandmilk.net]
>> Sent: Monday, October 06, 2014 4:40 PM
>> To: Markus Heller
>> Cc: pymol-users@lists.sourceforge.net
>> Subject: Re: [PyMOL] CONECT table
>>
>> http://www.pymolwiki.org/index.php/Connect_mode
>>
>> -David
>>
>> > On Oct 6, 2014, at 6:35 PM, Markus Heller  wrote:
>> >
>> > Hello,
>> >
>> > How can I get PYMOL to use the CONECT table from a PDB file?  My
>> protein is glycosylated, and I'd like to properly and automatically display
>> the glycosides including their linkage to the protein.
>> >
>> > Thanks and Cheers
>> > Markus
>> >
>> > --
>> > Markus Heller, Ph.D.
>> > NMR Scientist
>> > CDRD - The Centre for Drug Research and Development
>> > 2405 Wesbrook Mall, Fourth Floor | Vancouver, BC  V6T 1Z3 | Main:
>> > (604) 827-1147
>> > Direct: (604) 827-1122 | F: (604) 827-1299 | E: mhel...@cdrd.ca |
>> > www.cdrd.ca
>> >
>> >
>> >
>> >
>> >
>> >
>> > Follow us:
>> >
>> > This email and any files transmitted with it are confidential and
>> intended solely for the addressee.  If you are not the named addressee you
>> should not disseminate, distribute, copy, or alter this email.
>> >
>> >
>> >
>> >
>> > --
>> >  Slashdot TV.  Videos for Nerds.  Stuff that Matters.
>> > http://pubads.g.doubleclick.net/gampad/clk?id=160591471&iu=/4140/ostg.
>> > clktrk ___
>> > PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net)
>> > Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users
>> > Archives:
>> > http://www.mail-archive.com/pymol-users@lists.sourceforge.net
>>
>>
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Re: [PyMOL] CONECT table

2014-10-07 Thread Andreas Warnecke
Hi,

It appears that the following:
Select gluco, bound_to resn NDG
Show sticks, gluco

does not work. I'm not sure if the glycosylation is handled as a separate
residue, but you could try:
select glucoasp, byres (neighbor (resn NDG))
show sticks, glucoasp

FYI: There are pages on selection algebra on the Pymol wiki that may give
more inspiration.

Hope this gets you started,

/Andreas
On Oct 7, 2014 10:02 PM, "Markus Heller"  wrote:

> D'uh.  Thanks for pointing this out.
>
> Follow-up question: I want to show my glycosylated protein as cartoon,
> with the glycosides *and* the side chains they're attached to shown in
> sticks.  How do I do that?
>
> I show the protein as cartoon:
>
> Load foo.pdb
> Hide lines
> As cartoon
>
> Then I select the glycosides
>
> Select gluco, resn NDG
> Show sticks, gluco
>
> This only shows me the glycoside, but NOT the side chain it's attached to.
>
> I tried
>
> Select gluco, bound_to resn NDG
> Show sticks, gluco
>
> But that doesn't work, shows no side chains.
>
> Any help much appreciated!
>
> Thanks and Cheers
> Markus
>
> -Original Message-
> From: David Hall [mailto:li...@cowsandmilk.net]
> Sent: Monday, October 06, 2014 4:40 PM
> To: Markus Heller
> Cc: pymol-users@lists.sourceforge.net
> Subject: Re: [PyMOL] CONECT table
>
> http://www.pymolwiki.org/index.php/Connect_mode
>
> -David
>
> > On Oct 6, 2014, at 6:35 PM, Markus Heller  wrote:
> >
> > Hello,
> >
> > How can I get PYMOL to use the CONECT table from a PDB file?  My protein
> is glycosylated, and I'd like to properly and automatically display the
> glycosides including their linkage to the protein.
> >
> > Thanks and Cheers
> > Markus
> >
> > --
> > Markus Heller, Ph.D.
> > NMR Scientist
> > CDRD - The Centre for Drug Research and Development
> > 2405 Wesbrook Mall, Fourth Floor | Vancouver, BC  V6T 1Z3 | Main:
> > (604) 827-1147
> > Direct: (604) 827-1122 | F: (604) 827-1299 | E: mhel...@cdrd.ca |
> > www.cdrd.ca
> >
> >
> >
> >
> >
> >
> > Follow us:
> >
> > This email and any files transmitted with it are confidential and
> intended solely for the addressee.  If you are not the named addressee you
> should not disseminate, distribute, copy, or alter this email.
> >
> >
> >
> >
> > --
> >  Slashdot TV.  Videos for Nerds.  Stuff that Matters.
> > http://pubads.g.doubleclick.net/gampad/clk?id=160591471&iu=/4140/ostg.
> > clktrk ___
> > PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net)
> > Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users
> > Archives:
> > http://www.mail-archive.com/pymol-users@lists.sourceforge.net
>
>
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Re: [PyMOL] CONECT table

2014-10-07 Thread Markus Heller
D'uh.  Thanks for pointing this out.

Follow-up question: I want to show my glycosylated protein as cartoon, with the 
glycosides *and* the side chains they're attached to shown in sticks.  How do I 
do that?

I show the protein as cartoon:

Load foo.pdb
Hide lines
As cartoon

Then I select the glycosides

Select gluco, resn NDG
Show sticks, gluco

This only shows me the glycoside, but NOT the side chain it's attached to.

I tried 

Select gluco, bound_to resn NDG
Show sticks, gluco

But that doesn't work, shows no side chains.

Any help much appreciated!

Thanks and Cheers
Markus

-Original Message-
From: David Hall [mailto:li...@cowsandmilk.net] 
Sent: Monday, October 06, 2014 4:40 PM
To: Markus Heller
Cc: pymol-users@lists.sourceforge.net
Subject: Re: [PyMOL] CONECT table

http://www.pymolwiki.org/index.php/Connect_mode

-David

> On Oct 6, 2014, at 6:35 PM, Markus Heller  wrote:
> 
> Hello,
> 
> How can I get PYMOL to use the CONECT table from a PDB file?  My protein is 
> glycosylated, and I'd like to properly and automatically display the 
> glycosides including their linkage to the protein.
> 
> Thanks and Cheers
> Markus
> 
> --
> Markus Heller, Ph.D.
> NMR Scientist
> CDRD - The Centre for Drug Research and Development
> 2405 Wesbrook Mall, Fourth Floor | Vancouver, BC  V6T 1Z3 | Main: 
> (604) 827-1147
> Direct: (604) 827-1122 | F: (604) 827-1299 | E: mhel...@cdrd.ca | 
> www.cdrd.ca
> 
> 
> 
> 
> 
> 
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Re: [PyMOL] CONECT table

2014-10-06 Thread David Hall
http://www.pymolwiki.org/index.php/Connect_mode

-David

> On Oct 6, 2014, at 6:35 PM, Markus Heller  wrote:
> 
> Hello,
> 
> How can I get PYMOL to use the CONECT table from a PDB file?  My protein is 
> glycosylated, and I'd like to properly and automatically display the 
> glycosides including their linkage to the protein.
> 
> Thanks and Cheers
> Markus
> 
> -- 
> Markus Heller, Ph.D.
> NMR Scientist
> CDRD - The Centre for Drug Research and Development
> 2405 Wesbrook Mall, Fourth Floor | Vancouver, BC  V6T 1Z3 | Main: (604) 
> 827-1147
> Direct: (604) 827-1122 | F: (604) 827-1299 | E: mhel...@cdrd.ca | www.cdrd.ca
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[PyMOL] CONECT table

2014-10-06 Thread Markus Heller
Hello,

How can I get PYMOL to use the CONECT table from a PDB file?  My protein is 
glycosylated, and I'd like to properly and automatically display the glycosides 
including their linkage to the protein.

Thanks and Cheers
Markus

-- 
Markus Heller, Ph.D.
NMR Scientist
CDRD - The Centre for Drug Research and Development
2405 Wesbrook Mall, Fourth Floor | Vancouver, BC  V6T 1Z3 | Main: (604) 827-1147
Direct: (604) 827-1122 | F: (604) 827-1299 | E: mhel...@cdrd.ca | www.cdrd.ca






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