[ccp4bb]: REFMAC library

[David Guerra Aragao <daragao@itqb.unl.pt>]

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Dear CCP4 list members,

>From a REFMAC5 run I get a list of INFOs like the sample below:

  I am reading library. Please wait.
                mon_lib.cif
  INFO:  connection is found (not be used) dist= 1.325 ideal_dist= 1.330
            ch:AA res: 405 GLY at:C --> ch:Aa res: 406 CYP at:N
  INFO:  connection is found (not be used) dist= 2.324 ideal_dist= 2.300
            ch:AA res: 312 CYS at:SG --> ch:Cc res: 710 FE6 at:FE6

I've checked and it makes sense for my protein but I didn't set those
links in dictionary (telling the trued because I don't know how). I was
happy to "see" that REFMAC could understand that connections existed but
my happiness went away when I saw the "not be used"...

Is it any fast way of telling it to use this links ?


David Aragao
Linux User nš 237333 on http://counter.li.org/

"For every complex problem there is an answer that is clear, simple,
and wrong."
        - H. L. Mencken (1880-1956)   

P.S: CYP is a persulphide-Cysteine that I've created.