Dear Eiso,  

I did change export SCRIPTS to the correct location  

  export SCRIPTS=/epp/molgraf ... /RECOORDSCRIPTS  

where RECOORDSCRIPTS is the directory having the file generate.sh  

I do have csplit and
 cns.  

Betty Swanson wrote:
Dear Eiso, I dont know how to execute the commands in the file generate.sh by hand,
except that in the usage it says usage: t generate.sh 1bf0.pdb So I tried to exectute the file accordingly. Thanks, Betty


you can type [or paste] the commands that you find in
generate.sh on the command line.
(type /bin/bash first if your shell is not bash)


did you change the:
export SCRIPTS=/home/software/.....
line to the correct location?

do you have csplit? (type: which csplit)
do you have cns? (type: which cns)


Eiso


eiso wrote: Betty Swanson wrote:

Dear All,

I want to carry out water refinement of CYANA generated structures using CNS1.1.
Can you’ll please help me out? I know there are RECOORD scripts such as
generate.sh etc. However, I don’t know how to execute them. For instance, simply
typing

“generate.sh 1KDF.pdb”

does not generate any output. It just gives the following message:

generate.sh: command not found.


could be that a program called in generate.sh is not found try executing the
commands in that file by had and see how far you get.

-E


(I have changed the path such that the location of the RECOORD scripts are
defined).

Since some of you’ll must have done waterrefinement of structures generated by
CYANA, can you please tell me how to do it.

Thanks,

Betty



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