Dear All,
I simply want to create a PDB file for adenosine from the existing
monomer library entry ADN.cif. Normally I do this using COOT (get
monomer) but when I try this I get the following error:
: _lib_update 12/05/10
: ------------------------------
: ERROR: number of monomers > 3000 /lib. limit/
: Change parameter MAXMLIST in "lib_com.fh"
exit status: 0
INFO:: libcheck status: 0
libcheck failed to write the output cif file.
I then try using LIBCHECK standalone to get the PDB file. I get the
same error if I use the FILE_CIF input keyword and give it the
filename for ADN.cif, no surprise, as this is (I assume) what COOT does.
I then copy over ADN.cif to my local directory, run LIBCHECK again and
use the FILE_L keyword to specify the (local) ADN.cif file. I then get
the error:
ERR: item _chem_comp_tree.atom_id :O2' not found in the atom list
MON,BLOCK :ADN data_comp_ADN
suggesting that there is an error in ADN.cif !
I know that I should really correct the dimension error that I first
got in COOT, but Phil Evans looks after our CCP4 installation and he
is away and I'm not sure where to start.
Does anyone understand why using FILE_L command does not work, or
indeed any other way that I can produce the PDB file from the cif file ?
Thanks
Andrew
