Re: [ccp4bb] Error while running BLEND

2022-10-27 Thread SUBSCRIBE CCP4BB Lande Fu
Dear Pedro, What a stupid error they have in Blend! I also had the same problem when using Blend and I fixed it by just editing that create_file_for_BLEND.py. That code just concentrates two strings into one, so what you need is to change every string.join line e.g. newname=string.join(["dat

Re: [ccp4bb] Low resolution and high anisotropy

2022-10-26 Thread Lande Fu
Hello Shenyuan, I noticed STARANISO processd the data all the way down to 1.7A, with very poor stats on high resolution shell. I have two suggesstions: 1.You may want to reivse the raw images to check the anisotropy (that all spots are distributed in an flat ellipse). 2. If you can scale&mer

Re: [ccp4bb] Regarding the correct space group identification

2022-07-31 Thread Lande Fu
Dear Sayan, I argree with Eleanor that P222 and C2 cannot been reindexed from each other and I wonder how did you get these two results at the same time. You may want to look into your data processing steps. First, let's check how many points are indexed for each spacegroup. Are they like 40%

Re: [ccp4bb] Unable to reduce the values of R-work and R-free

2022-03-08 Thread SUBSCRIBE CCP4BB Lande Fu
Hi Mudassar, The good new is that the data looks fine according to my experience and there are several ways to improve. The first thing I noticed in your aimless log is: "Anisotropic deltaB A^2: 50.24". This indicates severe anisotropy in your diffraction data. You may consider to use some ani

Re: [ccp4bb] A strange problem related to MR

2021-09-08 Thread SUBSCRIBE CCP4BB Lande Fu
was processed in equivalent space groups such as C2 vs I2 vs F2. Thanks again for your help. Regards, Lande Fu To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA

Re: [ccp4bb] MR problem in muti-domain structure

2021-05-12 Thread Lande Fu
Dear Randy, Eleanor and Jon, Thank you for your kind rely. I apologize for about the tutorial files. I actually got it from my institution's sever and did not check the link. Thanks to Randy we now have the correct link. To John: I did put the correct domain 1 chain A and domain 2 chain B as