Hi Hari, I typically draw formulae using ChemDraw online, export SMILES and use them to get PDBs/CIFs from Grade web server (Global Phasing). Both ChemDraw and Grade web servers are free to use.
Hope that helps, Tomas On Sat, Jun 13, 2020 at 6:01 PM Hari shankar <0000465d10db143e-dmarc-requ...@jiscmail.ac.uk> wrote: > > Hi all, > > I want to build a ligand that does not exist in reality (or be able to modify > an existing ligand as per choice). > 1. JLigand in the ccp4 suite seems to work only on java and gives me an > “configuration problem” as an error message on my Windows. I am new to this > and unaware of how to solve this issue. Could I get some suggestions on how > to start this? > > 2. Alternatively, I was trying to use eLBOW from phenix but it seems to only > build ligands but unable to delete atoms. Is there another program or option > for me to delete sections of the ligand and geometrical optimise them in > phenix? > > Thanks > Hari > > ________________________________ > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
