Hi John,
In the PRODRG website, http://davapc1.bioch.dundee.ac.uk/prodrg/index.html,
Click the "Draw Molecule with JME" radio button,
In the pop-up window, draw your molecule, transfer the coordinates to the
server by clicking the "Transfer to PRODRG Window". You will see the
coordinates of yo
Hi,
create the SMILES string using
http://www.molinspiration.com/cgi-bin/properties (you can get the SMILES
editor from the author- Peter Ertl, Novartis)
use it as a input to build the 3D coordinates using
http://www.molecular-networks.com/online_demos/corina_demo.html
Hi,
1) I am working with two ligands, cyclopropanemethanol
and cyclobutanemethanol. The 3 letter code for them
CPM and CBM (i thought of using) were assigned to
other ligands. Is there any standard procedurre to
name them. I would like them to use in Refmac and
coot.
2) How do I convert mtz file
