RDC file format

HADDOCK
1

I have a problem with the format of a RDC file. I get the error message that it can’t recognise the ‘assi’ command which I find rather puzzling. I created the file in exactly the same way as I made them previously in XPLOR. Would it be possible to get a real RDC file that someone has already used with HADDOCK so I can check where I went wrong?
thanks,
mark

2

Hi Mark

Here is an example take from the example dir of the haddock2.4 distribution:

!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid    2 and name N and segid A )
     ( resid    2 and name HN and segid A )   0.727   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid    3 and name N and segid A )
     ( resid    3 and name HN and segid A )  11.702   0.200
3

Thank you very much!
I shall try that and see what happens.

Regards,

Mark