[Rdkit-discuss] Web-front end for PostgreSQL database with RDKit cartridge

Hello, I've set up a PostgreSQL chemical database with RDKit cartridge on a Linux desktop as server but for the database to be searchable by chemists, I would need to set up a web-front end with a user-friendly UI for the database which I have no experience in. Can anyone advise on what is the

Re: [Rdkit-discuss] Building RDKit on Windows for pgAdmin (Postgres)

age immediately from your computer. Any other use, retention, dissemination, forwarding, printing, or copying of this e-mail is strictly prohibited. From: Paolo Tosco Sent: 14 April 2022 18:41 To: Charmaine Siu Man Chu Cc: rdkit-discuss@lists.sourceforge.net Subject: Re: [Rdkit-discuss] B

[Rdkit-discuss] Building RDKit on Windows for pgAdmin (Postgres)

Hello, I've been trying to build RDKit on Windows so that I can get the RDKit extension in pgAdmin (Postgres) but I've been unsuccessful. I've tried to follow the instruction on https://www.rdkit.org/docs/Install.html to build RDKit and encountered several problems. Some of them I manage to

[Rdkit-discuss] specifying deprotection

Hello, I'm currently looking at the deprotection function within Chem.rdDeprotect. Is it possible to specify a specific deprotection from the in-built deprotection list and if so how can I go about doing that? Thank you in advance. Regards, Charmaine Chu