Changeset 541


Ignore:
Timestamp:
Dec 4, 2009 5:07:54 PM (14 years ago)
Author:
toby
Message:

# on 2002/01/22 22:50:33, toby did:
add absplt, remove export routines now in own menu cascade
add gsas2pdf * ref2... & ramafit

File:
1 edited

Legend:

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Added
Removed

  • trunk/gsasmenu.tcl

    • Property rcs:date changed from 2001/10/18 23:27:59 to 2002/01/22 22:50:33
    • Property rcs:lines changed from +3 -5 to +25 -13
    • Property rcs:rev changed from 1.20 to 1.21
    r469 r541  
    4848        vrstplot
    4949        widplt
     50        absplt
    5051    }
    5152    calc {
    … …  
    5859    }
    5960    import/export {
    60         exp2shelx
    61         exp2xtl
    6261        gsas2cif
    6362        hklsort
    … …  
    6968        p3r3data
    7069        sxtldata
     70        gsas2pdb
     71        ref2asc
     72        ref2bin
    7173    }
    7274    results {
    … …  
    8082        composition
    8183        lstview
    82         last_r
     84        ramafit
    8385    }
    8486}
    … …  
    302304        Convert an energy dispersive diffractogram data file from NSLS X17b}
    303305    }
    304 
     306    gsas2pdb    {{runGSASprog $cmd} {
     307        Import (using GSAS2PDB & EXPEDT) and export coordinates (for
     308        macromolecular phases) to/from Protein Data Base files.}
     309    }
     310    ramafit     {{runGSASprog $cmd} {
     311        Fits torsion angle distributions, particularly in peptide chains,
     312        for use in restraints.}
     313    }
     314    ref2asc     {{runGSASprog $cmd} {
     315        Exports a GSAS reflection file to ASCII for use in non-GSAS programs}
     316    }
     317    ref2bin     {{runGSASprog $cmd} {
     318        Imports an ASCII reflection file to the GSAS binary format.}
     319    }   
    305320    composition {{composition} {
    306321        Compute the unit cell and asymmetric unit contents for each phase
    … …  
    338353    widplt      {widplt {
    339354        Displays the FWHM as a function of Q, 2Theta,... for UVWXY values input or read from an EXP file}
     355    }
     356    absplt      {"widplt absplt" {
     357        Displays the intensity loss (1/Absorption Correction) Q, 2Theta,... for parameter values read from an EXP file}
    340358    }
    341359
    … …  
    363381}
    364382
    365 # not implemented (yet)
    366 #    newest     {}
    367 #composition    {{} {}}
    368 #exp2shelx      {{} {}}
    369 #exp2xtl        {{} {}}
    370 #dlst   {{delconf .LST} {}}
    371 
     383# this defines the button bar contents
    372384set expgui(buttonlist) {
    373385        expnam
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