Re: [ccp4bb] Reg. ITC machine

2023-08-09 Thread Matthew Whitley
Hello Sivaraman, We have a Malvern MicroCal PEAQ-ITC system in our lab that is used regularly. In general, we are pleased with the machine. We have experienced no major problems with the instrument, the data quality is good, and replicate measurements yield very similar results. I have never

Re: [ccp4bb] Monomer Library [was Re: [ccp4bb] Real Space refinement is broken in 0.9.8.7]

2023-08-09 Thread David Lawson (JIC)
Thanks both! Dave --- Prof. David M. Lawson Department of Biochemistry and Metabolism, John Innes Centre, Norwich, NR4 7UH, UK. Tel: +44-(0)1603-450725 Web: https://www.jic.ac.uk/people/david-lawson Email: david.law...@jic.ac.uk -Original Message- From: CCP

Re: [ccp4bb] Monomer Library [was Re: [ccp4bb] Real Space refinement is broken in 0.9.8.7]

2023-08-09 Thread Charles Ballard - STFC UKRI
In answer to Paul, should be available soon. Targeting Monday. -Original Message- From: CCP4 bulletin board On Behalf Of Paul Emsley Sent: 09 August 2023 15:31 To: ccp4bb Subject: Re: [ccp4bb] Monomer Library [was Re: [ccp4bb] Real Space refinement is broken in 0.9.8.7] On 09/08/2023

Re: [ccp4bb] Monomer Library [was Re: [ccp4bb] Real Space refinement is broken in 0.9.8.7]

2023-08-09 Thread Paul Emsley
On 09/08/2023 10:54, David Lawson (JIC) wrote: Hi Paul, Just wondering where we are with this fix. The blog is generally the place to turn for this sort of thing. Having said that, I missed the post about 0.9.8.9! But I have added one for 0.9.8.91 (that revision fixed the missing peptide ome

[ccp4bb] Introducing ‘Covalently Linked Components’ and enriched ligand information at PDBe

2023-08-09 Thread David Armstrong
Dear all, We are excited to announce the introduction of Covalently Linked Components (CLCs), a new class of reference small molecules that facilitates identification of covalently linked multi-component ligands across the whole PDB archive. This enhancement vastly improves the accessibility

Re: [ccp4bb] Monomer Library [was Re: [ccp4bb] Real Space refinement is broken in 0.9.8.7]

2023-08-09 Thread David Lawson (JIC)
Hi Paul, Just wondering where we are with this fix. Is it safe to apply the latest CCP4 updates? Many thanks Dave --- Prof. David M. Lawson Department of Biochemistry and Metabolism, John Innes Centre, Norwich, NR4 7UH, UK. Tel: +44-(0)1603-450725 Web: https://www.