Re: [ccp4bb] diffdump in CCP4 7.1

2020-08-22 Thread David Waterman
Dear Jan, If you just want to generate XDS input files then Tim's suggestion of using generate_XDS.INP is exactly right. If you or others miss the functionality of diffdump in CCP4 for reading image headers, then I suggest this command as a replacement: dials.show /path/to/image_file This is ava

[ccp4bb] Qt-PISA not recognizing Trp H bond

2020-08-22 Thread Engin Özkan
Hi, I have a question about QtPISA that ships with the latest ccp4 (7.1.003). Analyzing one of our recent structures, I came across what appears to be a hydrogen bond at a protein-protein interface, but it is not being picked by QtPISA (built from PISA v 2.1.2). It is a 2.9 Å (donor to accept