Stephane,
What I've done in these situations is broken the many-residue blocks
(typically water) into different chainID's and segid's. Then select
with by both residue number and segid (or chainID or both). That said,
I don't think segid's are a part of the official pdb specification
anymore (a
Stephane,
Okay, I see -- you're just spilling the top digit into the chain id. So for
residue 10123, you can issue a selection like:
zoom chain 1 and resi 0123
Looking over the code, I note that PyMOL has a hardcoded resi field of just
four characters plus a null. Given how C compilers pack
PyMOLers,
This example was just too cool not to be made into a script. See
http://www.pymolwiki.org/index.php/FindSurfaceResidues
-- Jason
> Message: 3
> Date: Mon, 8 Jun 2009 19:01:01 -0700
> From: "Warren DeLano"
> Subject: Re: [PyMOL] Hi all...
> To: "Yasser Almeida Hernandez" ,
>
PyMOLers,
This example was just too cool not to be made into a script. See
http://www.pymolwiki.org/index.php/FindSurfaceResidues
-- Jason
> Message: 3
> Date: Mon, 8 Jun 2009 19:01:01 -0700
> From: "Warren DeLano"
> Subject: Re: [PyMOL] Hi all...
> To: "Yasser Almeida Hernandez" ,
>
Hello,
I tried the following with your advice:
(i) load select.pdb
(ii) @beauty.pdb
(iii) @script.pdb
(iv) save 165.pdb
(v) orient select
(vi) cmd.matrix_copy(None, "select")
(vii) reset
(viii) save new.pdb
There is no difference in 165.pdb and new.pdb. Let me be clear:
Once I change some of t
Whoops, I misread my own code:
In fact, PyMOL already supports 5-character residue identifiers! Here's how
you use them, assuming a PDB file where the resi field spills into chain:
load your_file.pdb
alter all, resi=chain+resi
sort
# and off you go
indicate resi 1:
zoom resi 10123
Che
