Thanks, Anastassis, "Solvent" is working now after installing the fixed
file.
Cheers,
Matt
2009/1/8 Anastassis Perrakis
> Hi -
> Its a bug in version 7.0.1 that went (almost) unnoticed ... there was one
> more complaint a year ago and I had fixed it but there was no release in
> between. Sorr
Hi -
Its a bug in version 7.0.1 that went (almost) unnoticed ... there was
one more complaint a year ago and I had fixed it but there was no
release in between. Sorry.
Apart from simply doing the solvent building from the REFMAC interface
instead (either with arp_warp as since now or wit
Thanks Damian, but I have been using my library file for refmac refinement
and it works fine. And I can't find the line "Unrecognized atom type", but
presumably, if it works in refmac refinement, why not in Arp/wArp?
Yes Gerrit, the "[" and "]" should not be there.so auto_solvent.sh can
recogn
Dear Matt,
have you tried the 'input a user-defined library file' check box under
'refmac parameters' in the gui? Else try the keyword 'extralibrary' when
using the 'auto_solvent.sh' script from the command line. Both options
define a string 'LIB_IN mylib.cif' that is passed on to refmac.
Wh
Dear all,
I tried to use ARP/wARP 7.0.1 GUI for solvent building, however it couldn't
recognize my ligand library file (.cif), which works fine in refmac
refinement.
Apparently, the error message is:
===> Error: New ligand has been encountered. Stopping now
Refmac_5.2.0019: New ligand has been
