Re: [Rdkit-discuss] deprotection of dimthyl acetal?

2022-03-03 Thread Bennion, Brian via Rdkit-discuss
. Brian From: Kangway Chuang Sent: Wednesday, March 2, 2022 7:31 PM To: Bennion, Brian Cc: rdkit-discuss@lists.sourceforge.net Subject: Re: [Rdkit-discuss] deprotection of dimthyl acetal? Hi Brian, The Deprotect function will apply any number of deprotections

Re: [Rdkit-discuss] deprotection of dimthyl acetal?

2022-03-02 Thread Kangway Chuang via Rdkit-discuss
Hi Brian, The Deprotect function will apply any number of deprotections that are stored as the DeprotectData (see rdkit.Chem.rdDeprotect.GetDeprotections() to get the list). In your case, you can set up a custom DeprotectData deprotection: from rdkit.Chem.rdDeprotect import DeprotectData > #

[Rdkit-discuss] deprotection of dimthyl acetal?

2022-03-02 Thread Bennion, Brian via Rdkit-discuss
Hello All, I have poking about the docs and some emails trying to find a way to deprotect a group compounds. The docs describe the DeprotectData module but I am not making the connection to how that will operate on my molecules. my tentative smarts is here