Re: [ccp4bb] Enhanced Validation of Small-Molecule Ligands and Carbohydrates

2021-03-18 Thread Cyril Hamiaux
2021 10:57 pm To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Enhanced Validation of Small-Molecule Ligands and Carbohydrates Dear Cyril and Paul, COVID struggles permitting, we will _very_ soon have Acedrg dictionaries for most pyranoses in the monomer library. These contain validated conformers

Re: [ccp4bb] Enhanced Validation of Small-Molecule Ligands and Carbohydrates

2021-03-18 Thread Jon Agirre
t; > You can do something similar in Coot too. > > > Paul. > > > > > > > > *From:* CCP4 bulletin board > *On Behalf Of *Jasmine Young > *Sent:* Thursday, 18 March 2021 2:46 am > *To:* CCP4BB@JISCMAIL.AC.UK > *Subject:* [ccp4bb] Enhanced Validation of

Re: [ccp4bb] Enhanced Validation of Small-Molecule Ligands and Carbohydrates

2021-03-18 Thread Paul Emsley
ing the density. You can do something similar in Coot too. Paul. *From:*CCP4 bulletin board *On Behalf Of *Jasmine Young *Sent:* Thursday, 18 March 2021 2:46 am *To:* CCP4BB@JISCMAIL.AC.UK *Subject:* [ccp4bb] Enhanced Validation of Small-Molecule Ligands and Carbohydrates A new article

Re: [ccp4bb] Enhanced Validation of Small-Molecule Ligands and Carbohydrates

2021-03-18 Thread Cyril Hamiaux
ust admit that I’m a bit struggling to improve this. From: CCP4 bulletin board On Behalf Of Jasmine Young Sent: Thursday, 18 March 2021 2:46 am To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Enhanced Validation of Small-Molecule Ligands and Carbohydrates A new article in Structure<https://doi.org/1

[ccp4bb] Enhanced Validation of Small-Molecule Ligands and Carbohydrates

2021-03-17 Thread Jasmine Young
A new article in /Structure/ describes new features, including branched representations and 2D SNFG images for carbohydrates, identification of ligands of interest, 3D views of electron density fit, and 2D images of small molecule geometry. These