Re: [Rdkit-discuss] Question about WedgeMolBonds

> > Is there something that the compute2DCoords() is doing that makes it a > dependency for WedgeMolBonds() Yes, calculating 2D coordinates. Look at these two molecules, they are the same but the atoms have been positioned differently in 2D and hence the wedging needs to be different. Therefore

Re: [Rdkit-discuss] connecting to postgres in rdkit environment

The server itself must be told to allow remote connections. You might check these two things. 1. You can edit the postgresql.conf file (not sure where that is on your system). https://www.postgresql.org/docs/9.2/static/runtime-config-connection.html Uncomment or add the line

Re: [Rdkit-discuss] connecting to postgres in rdkit environment

Maybe this one here helps, too, although it is basically the same what TJ said: https://devops.profitbricks.com/tutorials/install-postgresql-on-centos-7/ Markus On Sat, Feb 25, 2017 at 11:29 PM, TJ O'Donnell wrote: > The server itself must be told to allow remote connections. >