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
On 15/03/11 12:57, A Leslie wrote:
…
>
> 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 dir
Hi Ian,
This is bizarre, we also have 6.1.13 installed here, but in my ADN.cif
(dated Oct 29 2008) the atom names have primes, but are surrounded by
quotes which I think allows a mechanism for them to be converted to a
* if you have the appropriate changes listed in your (personal) library.
Andrew
The default libraries installed at LMB are for the latest refmac/libcheck,
which use PDB v3 names for nucleotides (ie with primes), for both refmac
and coot
The older libraries are around somewhere
I get extremely confused by this sort of thing
Phil
> Hi Ian,
>
> This is bizarre, we als
It seems that there is a mismatch between dictionary and libcheck versions.
Could you please check
1) library
vi $CLIBD_MON/a/ADN.cif
It should have primes like:
ADN "O2'" OOH1 0.000 0.0000.0000.000
ADN "HO2'" HH 0.000 0.731 -0.600
