Generate sani script

HADDOCK
1

Hello,

I want to use the script “generate_sani” in order to convert “raw” rdclist to sani restrains. In the manual, it is advised to find the tool in “HADDOCK/RDCtools directory”…
my question is … where can I find this directory? Is the script actually accessible for the webserver or do i have to install HADDOCK locally to get the script(and the RDCtools directory)??

thanks!!
:slight_smile:

2

This script comes with a local installation of HADDOCK. If you download a full server run you will also find it.

But here is any the content of this simple script (adapt to your needs - might need to replace gawk by awk, and/or change the error bound you want to use (default 0.2)):

#!/bin/gawk -f
#
BEGIN {ERR=0.2}
{
  printf "%s\n", "!";
  printf "%s\n", "assi ( resid 999 and name OO )";
  printf "%s\n", "     ( resid 999 and name Z  )";
  printf "%s\n", "     ( resid 999 and name X  )";
  printf "%s\n", "     ( resid 999 and name Y  )";
  printf "%s%4d%s%s%s\n", "     ( resid ",$1," and name N and segid ",$3," )";
  printf "%s%4d%s%s%s%8.3f%8.3f\n", "     ( resid ",$1," and name HN and segid ",$3," )",$2,ERR;
}

The script expects as input a file containing a list of RDCs with: residue-number, measured-RDC, segid(the chainID you will use in HADDOCK)