mtzdump is a command line tool, so you have run it from a terminal. There is also a shorthand version for lazy people like me (notice the missing 'u'): mtzdmp something.mtz
Cheers, Robbie > -----Original Message----- > From: CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> On Behalf Of > Rituparna Saha > Sent: Tuesday, May 10, 2022 14:51 > To: CCP4BB@JISCMAIL.AC.UK > Subject: Re: [ccp4bb] Problem with understanding mtz and hkl files of S SAD > data > > Thank you for the suggestions. I had searched the mtzdump in CCP4i, but > didn't find any, I only found the mtz2various program. > > I am using the Shelxc/d/e suite. I had converted the ASCII.HKL file (the one > that I had mentioned before) to mtz using Pointless. Then, when I used this > file to run Shelxc/d/e, the job failed and I encountered errors each time. For > this reason, I wanted to view and analyze the mtz file and HKL file. I donot > know how to solve this problem as well. > > Kindly guide me if I went wrong anywhere here. > > > On Tue, May 10, 2022 at 5:49 PM Pedro Matias <mat...@itqb.unl.pt > <mailto:mat...@itqb.unl.pt> > wrote: > > > Hi there, > > I assume you processed the data with XDS. If so, you can use xdsconv > to convert the file other formats, including mtz > > To analyze (view?) an mtz file you can use mtzdump. MTZ2Various is > a format conversion program, just like xdsconv. You can convert directly to > SCALEPACK format without a USER FORMAT option, and the output from a > .sca file created from an mtz file with MTZ2various looks like this: > > > > 1 > -987 > 105.794 62.940 110.050 90.000 105.008 90.000 c > 1 2 > 1 <-- cell parameters and SG info > -73 1 3 5.1 5.1 7.5 4.5 <--- h,k,l, I+, > sigI+, I-, sigI- > (bijvoet mates) > -73 1 4 -1.4 6.8 3.4 5.3 > > > > What is the software you are using to solve the structure via S-SAD? I > recomment the shelxc/d/e suite that can be easily run via the hkl2map GUI. > > > > Best, > > Pedro > > > Em 10/05/2022 12:51, Rituparna Saha escreveu: > > > Dear all, > I am trying to solve a protein structure via S SAD phasing. I > have the ASCII.HKL file, but whenever I opened the text file I couldn't > understand which one is the F+ and F- values. > > Also, how can I read and analyze an mtz file? I tried using the > MTZ2VARIOUS program in CCP4, where I changed it into USER FORMAT, it > generated a .sca file, and the text file so generated did not have any labels > (headers) inside it. It just gave me a list of values. > > Kindly guide me through this since I am really a novice in this > field. > > -- > > -- > > ------------------------- > > Regards, > Rituparna Saha > > Research Scholar > Bioseparation and Structural Biochemistry Lab > Department of Biotechnology, IIT Kharagpur > > > > > > ________________________________ > > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA- > JISC.exe?SUBED1=CCP4BB&A=1 > > -- > Industry and Medicine Applied Crystallography > Macromolecular Crystallography Unit > ___________________________________ > Phones : (351-21) 446-9100 Ext. 1669 > (351-21) 446-9669 (direct) > Fax : (351-21) 441-1277 or 443-3644 > > email : mat...@itqb.unl.pt <mailto:mat...@itqb.unl.pt> > > http://www.itqb.unl.pt/research/biological-chemistry/industry-and- > medicine-applied-crystallography > http://www.itqb.unl.pt/labs/macromolecular-crystallography-unit > > Mailing address : > Instituto de Tecnologia Quimica e Biologica António Xavier > Universidade Nova de Lisboa > Av. da República > 2780-157 Oeiras > PORTUGAL > > ITQB NOVA, a great choice for your PhD > https://youtu.be/de6j-aaTWNQ > > Master Programme in Biochemistry for Health > https://youtu.be/UKstDCFjYI8 > > > > -- > > -- > > ------------------------- > > Regards, > Rituparna Saha > > Research Scholar > Bioseparation and Structural Biochemistry Lab Department of Biotechnology, > IIT Kharagpur > > > > > > ________________________________ > > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
