Thanks Paul - I love the ccp4 suite. I'm interested in knowing if there is any other solution out there that may be more economical in licensing, especially if I only go as far as coot as a "commercial user".
Are you suggesting that coot may not be a freeware anymore in the near future? Yours, Jacob On Sun, Mar 22, 2020 at 10:54 PM Paul Emsley <[email protected]> wrote: > > > Just would love to know what else is out there in addition to ELBOW in > Phenix? > > Acedrg is the modern dictionary generator distributed by CCP4. > > > My utility is to generate the .pdb and .cif files from a SMILES string > that would allow me to do compound > > fitting and real-space refinement in coot, > > I recommend that you pick up 0.9-pre (at the moment) if you are going to > do that. This will be folded into > CCP4 soon (I believe). > > > and then reciprocal refinement elsewhere (assuming I won't have access > to Phenix). > > Refmac? > > Paul. > > ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
