Re: [ccp4bb] More LCF archaeology (unit cell parameters this time).
Hi Zhilje and Jonathan, I wrote a simple Fortran program to read LCF written on a VAX. It needs the ifort compiler for the correct conversion of VAX REAL, and is at https://strucbio.biologie.uni-konstanz.de/ccp4wiki/index.php?title=Reflection_files_format#LCF . It works with the two example files that Jonathan provided, but should be made more general - NCOL and OFFSET should be figured out from the LCF file. Currently my program requires them to be specified on the command line. HTH, Kay On Sat, 13 Jul 2019 23:46:22 +, Zhijie Li wrote: >Hi Jonathan, > >We discussed about VAX floats last November: > >https://www.jiscmail.ac.uk/cgi-bin/webadmin?A2=ind1811=CCP4BB=D=63307 > >https://www.jiscmail.ac.uk/cgi-bin/webadmin?A2=ind1811=CCP4BB=D=65015 > >https://www.jiscmail.ac.uk/cgi-bin/webadmin?A2=ind1811=CCP4BB=D=65531 > >In short, the factor of 4 comes from: a) a bias of 128 instead of 127, b) a >different convention in the scientific notation. > >Would you be so kind as to send me a specimen of the VAX LCF file off-list? I >am also quite interested in archaeology. > >Zhijie > > > > >From: CCP4 bulletin board on behalf of Jonathan Cooper ><0c2488af9525-dmarc-requ...@jiscmail.ac.uk> >Sent: Saturday, July 13, 2019 4:21 PM >To: CCP4BB@JISCMAIL.AC.UK >Subject: [ccp4bb] More LCF archaeology (unit cell parameters this time). > >I am trying to use a hex editor to read the unit cell parameters from the >headers of 80's VAX LCF files and I can definitely find them in front of the >column labels as six regularly spaced 32-bit floats. However, they seem to be >multiplied by a factor of 4 and the final corrected values of a, b, c, alpha, >beta and gamma are a bit more approximate than I would expect. I can't work >out what's going on from the fortran yet so any clues would be much >appreciated. > > > >To unsubscribe from the CCP4BB list, click the following link: >https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1 > > > >To unsubscribe from the CCP4BB list, click the following link: >https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1 > To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1
Re: [ccp4bb] More LCF archaeology (unit cell parameters this time).
Hi Jonathan, We discussed about VAX floats last November: https://www.jiscmail.ac.uk/cgi-bin/webadmin?A2=ind1811=CCP4BB=D=63307 https://www.jiscmail.ac.uk/cgi-bin/webadmin?A2=ind1811=CCP4BB=D=65015 https://www.jiscmail.ac.uk/cgi-bin/webadmin?A2=ind1811=CCP4BB=D=65531 In short, the factor of 4 comes from: a) a bias of 128 instead of 127, b) a different convention in the scientific notation. Would you be so kind as to send me a specimen of the VAX LCF file off-list? I am also quite interested in archaeology. Zhijie From: CCP4 bulletin board on behalf of Jonathan Cooper <0c2488af9525-dmarc-requ...@jiscmail.ac.uk> Sent: Saturday, July 13, 2019 4:21 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] More LCF archaeology (unit cell parameters this time). I am trying to use a hex editor to read the unit cell parameters from the headers of 80's VAX LCF files and I can definitely find them in front of the column labels as six regularly spaced 32-bit floats. However, they seem to be multiplied by a factor of 4 and the final corrected values of a, b, c, alpha, beta and gamma are a bit more approximate than I would expect. I can't work out what's going on from the fortran yet so any clues would be much appreciated. To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1 To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1
[ccp4bb] More LCF archaeology (unit cell parameters this time).
I am trying to use a hex editor to read the unit cell parameters from the headers of 80's VAX LCF files and I can definitely find them in front of the column labels as six regularly spaced 32-bit floats. However, they seem to be multiplied by a factor of 4 and the final corrected values of a, b, c, alpha, beta and gamma are a bit more approximate than I would expect. I can't work out what's going on from the fortran yet so any clues would be much appreciated. To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1
