Dear Stephen,
The thought that using the CSD via Mogul for generating good refinement
dictionaries in the first place was THE way to go, rather than relying on
the PDB to use the same information later to try and catch errors at the
time of deposition, has been the driving force in the develo
"...available to anyone who has access to the Cambridge Structural
Database System"
How many academic labs will bother / can afford to buy a CCSD license
just to check the geometry of small molecule ligands, especially when
they need to do so them only once every blue moon?
The ability for the PD
On 9 January 2012 06:13, Shveta Bisht wrote:
> Dear all
>
> I have generated a refmac cif file for a molecule using PRODRG. I used
> JME editor to draw the molecule and ran PRODRG online with the
> options: Chirality-Yes, Charges-Reduced and EM-Yes. Please check the
> attachments for the molecu
