[ccp4bb] malware in ccp4?

2024-08-28 Thread Andrea Smith
Hi,   I updated to ccp4-9 a couple of days ago (windows, package manager) and today my antivirus moved one of the ccp4 files to a quarantine. It was: CCP4-9/WinCoot1/lib/python.3.11/site-packages/rdkit/Chem/rdDistGeom.pyd   It claims the threat is Win64:Evo-gen [Trj].   Is this an issue or did my

Re: [ccp4bb] libcheck

2024-08-16 Thread Andrea Smith
e way I run libcheck. Andrea On Thursday, August 15, 2024 17:13 CEST, Paul Emsley wrote:   On 8/15/24 09:01, Andrea Smith wrote: > > -- > > Dear all, > Dear Andrea, > > I successfully used libcheck to generate libraries for my ligands a  > couple of months ago. Now I want

[ccp4bb] libcheck

2024-08-15 Thread Andrea Smith
Dear all,   I successfully used libcheck to generate libraries for my ligands a couple of months ago. Now I wanted to use it again and it is giving me an error. Moreover, even though I select COOR Y and LCOOR N, libcheck uses COOR N and LCOOR Y.   Can someone tell me what am I doing wrong?   I

Re: [ccp4bb] Presence of negative density in Sim Omit map

2024-07-26 Thread Andrea Smith
Hi Eleanor,   I had basically the same question that I asked in phenixbb recently, the answer was also that the reason for red blobs is the solvent mask. In phenix there is mosaic modelling available that deals with the red blobs: https://onlinelibrary.wiley.com/doi/full/10.1002/pro.4909 Best,

[ccp4bb] how to create a figure of a blob

2024-07-18 Thread Andrea Smith
Hi,   I have a “green blob” in my map and I want to create a picture of it. What is the best option to do this?   Normally, to make figures of maps, I use pymol's "display ccp4 maps", but pymol shows maps around “site”. So if I don't fit anything into my blob, I can't create a “site” and displa

Re: [ccp4bb] phenix.table_one issues

2024-07-18 Thread Andrea Smith
Hi,   I had recently the same issue. I restarted my system, repeated the task and then it worked. Best, Andrea On Thursday, July 18, 2024 03:42 CEST, Dale C <8378c932659c-dmarc-requ...@jiscmail.ac.uk> wrote:   Hi all, I am currently trying to generate a Table 1 in Phenix. I currently h

[ccp4bb] Coot 0.9.6.EL Linux Ubuntu

2021-09-17 Thread Andrea Smith
Hi, I updated my ccp4 and it came with Coot 0.9.6.EL where the sequence view does not show the numbers of amino acids in the sequence and some letters overlap - anyone having the same problem? Do I need to install some other version? Thanks, Andrea #