Hi Nigel, Actually, this may have been due to a mistake on my part leading to a bad input structure. I will double-check tomorrow and let you know. I do know that many older structures containing N-acetyl sugars have the amide bond badly twisted suggesting that at some point the restraint libraries didn't cover it. If this case turns out to be my fault I apologise for the false alarm. Best regards, Tristan ________________________________ From: Nigel Moriarty Sent: Thursday, 21 January 2016 5:28 AM To: Tristan Croll Cc: [email protected] Subject: Re: [phenixbb] N-acetylgalactosamine lacking amide planarity restraint Tristan Can you send the model so I can check what is happening. Cheers Nigel --- Nigel W. Moriarty Building 33R0349, Physical Biosciences Division Lawrence Berkeley National Laboratory Berkeley, CA 94720-8235 Phone : 510-486-5709 Email : [email protected] Fax : 510-486-5909 Web : CCI.LBL.govhttp://CCI.LBL.gov CCI homepagehttp://cci.lbl.gov/ cci.lbl.gov Automated Crystallography: Neutron Crystallography: Automated Data Processing: PSI SBKB Technology Portal: Education & Outreach: Other Projects On Mon, Jan 18, 2016 at 5:19 AM, Tristan Croll mailto:[email protected]> wrote: Hi, I'm refining a structure that includes an O-linked N-acetylgalactosamine (NGA) residue, and from the way it's behaving the N-acetyl amide clearly has no restraints on its planarity. It's currently twisted almost 45 degrees from planar despite having no close contacts. Cheers, Tristan _______________________________________________ phenixbb mailing list [email protected]mailto:[email protected] http://phenix-online.org/mailman/listinfo/phenixbb Unsubscribe: [email protected]mailto:[email protected]