Rossmann's Lab

AUTOSEPERATE

Introduction :

After the reconstruction, the particles need to be seperated into two data sets. The two data sets will be used to do two seperate reconstructions. Then the Fourier Shell Corelation method will be used to estimate the resolution. The program of AUTOSEPERATE are also modified from Dr. Baker's EMPFT_SELECT. The input is very similiar to the autoselect but without the first line of sigma cutoff. If the original data file is "XXXX.dat_001", the program will automatic seperate the particle into two files, which names "XXXXevn.dat_001" and "XXXXodd.dat_001". "autoseperate" also has a parallel version called "autoseperate.para" which can do the seperation parallelly.

Example scripts for running AUTOSEPERATE:

Input all the file at the same time

          #! /bin/csh -f
          set wdir = "/bio/new-york/rbernal/Cryo"
          set binEM = "/home/dart/u19/xiaoc/bin-EM"
          set prog_version = ".para"
          cd ${wdir}/Data
          date >! ${wdir}/Logs/sep${prog_version}_$1.log

          ${binEM}/autoseperate${prog_version} << EOFSEL >> ${wdir}/Logs/sel${prog_version}_$1.log
          ${wdir}/Data/6164Bsp.dat_${zeros}$1
          ${wdir}/Data/6165Bsp.dat_${zeros}$1
          ${wdir}/Data/6166Bsp.dat_${zeros}$1
          ${wdir}/Data/6167Bsp.dat_${zeros}$1
          ${wdir}/Data/6168Bsp.dat_${zeros}$1
          ${wdir}/Data/6169Bsp.dat_${zeros}$1
          ${wdir}/Data/6172Bsp.dat_${zeros}$1
          EOFSEL
          date >> ${wdir}/Logs/sel${prog_version}_$1.log

Input the file one by one

          #! /bin/csh -f
          set wdir = "/bio/new-york/rbernal/Cryo"
          set binEM = "/home/dart/u19/xiaoc/bin-EM"
          set prog_version = ".para"
          cd ${wdir}/Data
          date >! ${wdir}/Logs/sel${prog_version}_$1.log

          foreach datafile ( *Bsp.dat_${zeros}$1 )
          ${binEM}/autoseperate${prog_version} << EOFSEL >> ${wdir}/Logs/sel${prog_version}_$1.log
          ${wdir}/Data/${datafile}
          EOFSEL
          end
          date >> ${wdir}/Logs/sel${prog_version}_$1.log

Known problem :

When using the parallized version, all the nodes will print out the selection or seperation information simultaneously which will make the log file unable to read. Therefore, if you want to look at the selection information. You can input file one by one.

BUG REPORT :

If you meet any bugs or problems of the programs, please email xc@purdue.edu.

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