[Dock-fans] amberize_receptor problem

[Osmany Guirola]

Hi 

i am runing dock in linux
and in  the receptor file the line is

HETATM  334 CA    CA A 201       5.268  20.343   5.202  1.00 11.19          CA

all CA are uppercase




----- Original Message ----
From: Alessandro Nascimento <al.s.nascimento at gmail.com>
To: Osmany Guirola <osmany_guirola at yahoo.com>
Cc: dock-fans at docking.org
Sent: Thursday, January 24, 2008 11:29:11 AM
Subject: Re: [Dock-fans] amberize_receptor problem


Are you running dock in linux? cygwin?

Can it be caused by case sensitivity ? CA != Ca ??

HTH,


--alessandro

On Jan 24, 2008 11:25 AM, Osmany Guirola <
osmany_guirola at yahoo.com> wrote:

Hi 
I am having problems trying to run the amberize_receptor script 
my PDB receptor has a Calcium ion  and the script gave me this error

......
.....
Building topology.
Building atom parameters.

For atom: .R<CA 45>.A<CA 1> Could not find type: Ca
Parameter file was not saved.
        Quit

i check the log file  and the script loads the ions library
Loading library: /home/osmany/progs/dock6/parameters/leap/lib/ions94.lib

Loading: CA
Loading: CIO
Loading: Cl-
Loading: Cs+
Loading: IB
Loading: K+
Loading: Li+
Loading: MG
Loading: MG2
Loading: Na+
Loading: Rb+
Loading: ZN

What can i do?

Thanks


Osmany







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[ ]s

--alessandro






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