Changeset 1219 for trunk/distrest.tcl


Ignore:
Timestamp:
Aug 19, 2012 1:24:43 PM (8 years ago)
Author:
toby
Message:

Major new release: bug fixes for rigid bodies; Split Restraints from Constraints; add chemistry restraints; edit f' & f; fixes for fixing atoms; start work on Absorption constraints and interface for Fourier maps

File:
1 edited

Legend:

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Added
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  • trunk/distrest.tcl

    r1166 r1219  
    3636#SR_Build
    3737
     38set ::sr_atom1_button 1
     39set ::sr_atom2_button 1
     40set ::sr_distance_button 1
     41set ::sr_entryvar(choicenum) 0
     42#    set ::sr_entryvar(softphase) "1"
     43#    set ::sr_phaselist $::expmap(phaselist)
     44set ::sr_entryvar(softatom1) "all"
     45set ::sr_entryvar(softatom2) "all"
     46set ::sr_phaselist $::expmap(phaselist)
     47set ::sr_error 0
     48set ::sr_bond_list ""
     49set ::sr_dminvalue 0
     50set ::sr_dmaxvalue 1000
     51set ::sr_display_mode noedit
     52set ::sr_key_list ""
     53
    3854proc DisplayDistanceRestraints {args} {
    3955    #puts DisplayDistanceRestraints
     
    8399    set ::entrycmd(trace) 0
    84100    set ::entryvar(distrestweight) [SoftConst weight]
    85     RecordMacroEntry "set ::entryvar(distrestweight) [SoftConst weight]" 0
     101    #RecordMacroEntry "set ::entryvar(distrestweight) [SoftConst weight]" 0
    86102    set ::entrycmd(trace) 1
    87     incr ::expgui(changed)
     103    #incr ::expgui(changed)
    88104
    89105    #Run Disagl Commands *****************************************************
     
    104120
    105121
    106     foreach {top main side lbl} [MakeScrollTable $rightfr] {}
     122    foreach {top main side lbl} [MakeScrollTable $rightfr 450 300] {}
    107123    MouseWheelScrollTable $rightfr
    108124    set atom1_state  1
     
    724740    putontop $mrb
    725741}
    726 #************************************************************************
    727 #Procedure to Initialize variables ***************************************
    728 #*************************************************************************
    729 proc SR_Initialize {} {
    730     set ::sr_atom1_button 1
    731     set ::sr_atom2_button 1
    732     set ::sr_distance_button 1
    733     set ::sr_entryvar(choicenum) 0
    734     #    set ::sr_entryvar(softphase) "1"
    735     #    set ::sr_phaselist $::expmap(phaselist)
    736     set ::sr_entryvar(softatom1) "all"
    737     set ::sr_entryvar(softatom2) "all"
    738     set ::sr_phaselist $::expmap(phaselist)
    739     set ::sr_error 0
    740     set ::sr_bond_list ""
    741     set ::sr_dminvalue 0
    742     set ::sr_dmaxvalue 1000
    743     set ::sr_display_mode noedit
    744     set ::sr_key_list ""
    745     #SR_Rest_Only
    746 }
    747742
    748743# load restraints w/o distances
     
    783778    donewait
    784779}
    785 
    786 #expload TEST3.EXP
    787 #mapexp
    788 SR_Initialize
    789 #SR_Read_Distances test2.disagl
    790 #SR_Load_Restraints
    791 #SR_Main_Editor
    792 #SR_Load_Restraints
    793 
    794 
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