[ccp4bb] List of obsolete residue IDs

2019-02-08 Thread Tristan Croll
Hi all, I’m trying to find an authoritative list of all obsolete residue IDs in the CCD, but I’m coming up blank. Ligand Expo will tell me if a given ID is obsolete, but where is this information stored? Components.cif includes an “Obsoleted” date for a few dozen residues, but that doesn’t

Re: [ccp4bb] Turning off the bulk solvent modelling in Refmac5 to generate Polder maps?

2019-02-08 Thread Pavel Afonine
Hi, this is why Polder map tool also includes analysis of the map in question to determine whether it looks like bulk-solvent or something else, as described in paragraph 5 here: http://journals.iucr.org/d/issues/2017/02/00/ba5254/ba5254.pdf This analysis tells you in plain English what you are

Re: [ccp4bb] [EXTERNAL] [ccp4bb] 3D Glasses (stereo)

2019-02-08 Thread Yong Wang
We have no problem with 3D vision under Windows 7. You don't even need high-end Quadro graphics cards. Make sure your graphics driver is up-to-date. The challenge now is to find the 3D ready monitors, especially large sized (>24"). Yong -Original Message- From: CCP4 bulletin board

Re: [ccp4bb] 3D Glasses (stereo)

2019-02-08 Thread Philippe BENAS
Hi, All my Win7 workstations are dual boot Win7/Kubuntu-18.04. All work fine on both OS. In particular, Coot, PyMol, Discovery Studio etc work fine in stereo using Nvidia Vision 1 and 2 glasses and Asus VG278H monitors with built-in IR emitter. I had a HP Z620 under Win10 for which PenGL stereo

[ccp4bb] 3D Glasses (stereo)

2019-02-08 Thread Sanaz Asadollahpour
Hi guys, We have previously used stereo glasses from crystal eyes on a Dell precision 690 Pc (with 4 processors) on the windows XP. Then we changed to NIVIDIA 3D vision system which also worked fine for some time. But now we have several problems working with 3D Vision using windows7. what

Re: [ccp4bb] Turning off the bulk solvent modelling in Refmac5 to generate Polder maps?

2019-02-08 Thread Bernhard Rupp
Hi Fellows, I'd really like to emphasize the point in the Buster instructions "be careful when examining fo-fc at low levels" when solvent is excluded. If the solvent contribution is omitted where you suspect the ligand (e.g. occupancy 0.02 in Refmac), there will be a fo contribution there from

Re: [ccp4bb] Turning off the bulk solvent modelling in Refmac5 to generate Polder maps?

2019-02-08 Thread Clemens Vonrhein
Dear Samuel, On Mon, Feb 04, 2019 at 11:39:58AM +, Samuel Davis (PG Research) wrote: > I'm wondering if anyone knows if it is possible to turn off the bulk > solvent modelling in Refmac5, for the purpose of generating Polder > maps? I know that an option for Polder maps is directly