[ccp4bb]: modified amino acid lib

[<saj4r@cms.mail.virginia.edu>]

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I am trying to refine a structure which contains a modified amino acid
using ccp4i version 4.2.  This residue has only a minimal description
in the distributed library files.  I have used monomer library
sketcher to make a full description of this residue.  Refmac5 is able
to use this description when I tell it to use the library file that
sketcher created.  However, I want to use Arp/Warp to build water
molecules, and the ccp4i arp/warp interface does not allow me to tell
it where to look for the cif file of this residue I created with
sketcher.  My question is, Where can I put this residue description so
that refmac/arp finds it automatically?  I tried just swapping the new
information with that of the minimal description in
/ccp4-4.2/lib/data/monomers/mon_lib_10.cif with no luck.  I still get
the same error when trying to run arp/warp:

Your coordinate file has a ligand which has either minimum or no
description in the library
A new ligand description has been added to
/tmp/steve/refmac5_temp1.07439_lib.cif
Picture of the new ligand can be viewed using postscript file. See
above
Check description in this file and, if satisfied, use it as the input
library
Otherwise either edit atom types manually or use CCP4i Sketcher to
view and edit the ligand
and create a library entry by running libcheck
It is strongly recommended that dictionary  entry should be checked
carefully before using it
If you are happy with the library description then use the keyword
(MAKE CHECK NONE)
I.e. do not check correctness of the coordinates
===> Warning: New ligand has been encountered. Stopping now
 Refmac_5.1.19:  Exiting now
 Times: User:       6.3s System:    0.0s Elapsed:    0:06
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 Last system error message:
 No such file or directory
 fft:  Cannot find file arp_1.mtz
 Times: User:       0.0s System:    0.0s Elapsed:    0:00
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Thanks in advance,

Steve Jacobs
University of Virginia