<!DOCTYPE HTML PUBLIC "-//IETF//DTD HTML//EN//2.0"><html><head><title>BUSTER input form</title></head>
<body bgcolor="#fffaf0" text="#000000" alink="#ff0000" link="#0000c0">
<center><h1>BUSTER input form</h1></center>
<form name="launch" method="post" action="/cgi-bin/launch.cgi">
<input type="hidden" name="project" value="None"><input type="hidden" name="level" value="1"><table>
<tbody><tr><td colspan="2" align="left"><a name="General">
<!--===================================================================-->
<hr noshade="noshade" size="2"><h3> 1. <a href="javascript:ManualWindow = window.open('/manual/chapter4.html#INPUTgeneral','ManualWindow');ManualWindow.focus();">General</a>
</h3>
</a></td></tr>
<tr><td> </td><td>
<table>
<tbody><tr>
<td valign="top"><p> <a href="javascript:ManualWindow = window.open('/manual/chapter4.html#JOBID','ManualWindow');ManualWindow.focus();">Job</a> </p></td><td valign="top"> : </td><td valign="top">
<input name="job" size="76" maxlength="76" value="Barnase.HardNCS"></td></tr><tr><td colspan="3"> </td></tr>
<tr><td valign="top"><p> <a href="javascript:ManualWindow = window.open('/manual/chapter4.html#TITLE','ManualWindow');ManualWindow.focus();">Title</a> </p></td><td valign="top"> : </td><td valign="top">
<input name="title" size="76" maxlength="76" value="Refinement HardNCS and 2.5 A MaxEnt completion"></td></tr>
<tr><td valign="top"><p> <a href="javascript:ManualWindow = window.open('/manual/chapter4.html#COMMNT','ManualWindow');ManualWindow.focus();">Comments</a> </p></td><td valign="top"> : </td><td valign="top">
<p><textarea name="comments" rows="5" cols="60">BUSTER tutorial
R69S mutant of barnase PDB code 1B20
Buckle, A. M., Henrick, K., Fersht, A. R.:
J Mol Biol 234 pp. 847 (1993)
Missing structure:
1- 4: AQVI
22: N
27- 28: KS
38- 39: SK
51: I
55- 59: IFSNR
66- 70: KSGST
85: S
</textarea></p></td></tr></tbody></table>
<input type="hidden" name="radiation" value="atomsf_xray"><input type="hidden" name="radw_1" value="1.41180"> </td></tr>
<tr><td colspan="2" align="left"><a name="DiffractionData">
<!--===================================================================-->
<hr noshade="noshade" size="2"><h3> 2. <a href="javascript:ManualWindow = window.open('/manual/chapter4.html#DATA','ManualWindow');ManualWindow.focus();">Diffraction data</a>
</h3>
</a></td></tr>
<tr><td> </td><td>
<script language="JavaScript1.1"></script>
function changeResol( type ) {
var el;
var defVal;
var low_bound;
var high_bound;
if( type == 0 ) {
el = document.launch.res_low.value * 1.0;
defVal = file.reslo.value * 1.0;
low_bound = document.launch.res_hi.value * 1.0;
high_bound = file.reslo.value * 1.0;
}
else {
el = document.launch.res_hi.value * 1.0;
defVal = file.reshi.value * 1.0;
low_bound = file.reshi.value * 1.0;
high_bound = document.launch.res_low.value * 1.0;
}
checkBounds( el, 0.99*low_bound, 1.01*high_bound, defVal );
if( type == 0 ) {
document.launch.le1.value = el;
document.launch.bs1.value = el;
document.launch.dn1.value = el;
}
else {
document.launch.le2.value = el;
document.launch.bs2.value = el;
document.launch.dn2.value = el;
}
}
function checkBounds( el, low_bound, high_bound, default_val ) {
var value = el.value * 1.0;
var low = low_bound * 1.0;
var high = high_bound * 1.0;
if( value < low || value > high ) {
alert( "This value " + value + " must be between " + low + " and " + high );
el.value = default_val * 1.0;
}
}
function Label( name, type ) {
this.name = name;
this.type = type;
}
function MTZ( name, cell, symm, res, labels ) {
this.name = name;
this.cell = cell;
this.symm = symm;
this.reslo = res[0] * 1.0;
this.reshi = res[1] * 1.0;
this.labels = labels;
}
function selectMTZ( f, selection ) {
// Loop over all available MTZ files
for( var i = 0; i < mtzs.length; ++i ) {
if( mtzs[i].name == selection ) {
file = mtzs[i];
f.res_low.value = file.reslo * 1.0;
f.res_hi.value = file.reshi * 1.0;
changeResol( 0 );
changeResol( 1 );
f.a.value = file.cell[0] * 1.0;
f.b.value = file.cell[1] * 1.0;
f.c.value = file.cell[2] * 1.0;
f.alpha.value = file.cell[3] * 1.0;
f.beta.value = file.cell[4] * 1.0;
f.gamma.value = file.cell[5] * 1.0;
f.symm.value = file.symm;
document.launch.FP_Label.options.length = 0;
var k = 0;
for( var j = 0; j < mtzs[i].labels.length; ++j )
if( mtzs[i].labels[j].type == "F" ) ++k;
--k;
if( k > 0 ) {
document.launch.FP_Label.options[0] = new Option( "None", "None", true, true );
document.launch.FP_Label.selectedIndex = 0;
k = 1;
}
for( var j = 0; j < mtzs[i].labels.length; ++j ) {
if( mtzs[i].labels[j].type == "F" ) {
var selected = false;
if( k == 0 ) selected = true;
f.FP_Label.options[k] = new Option( mtzs[i].labels[j].name, mtzs[i].labels[j].name, selected, selected );
++k;
}
}
document.launch.FP_Label.options[0].selected = true;
document.launch.SIGFP_Label.options.length = 0;
k = 0;
for( var j = 0; j < mtzs[i].labels.length; ++j )
if( mtzs[i].labels[j].type == "Q" ) ++k;
--k;
if( k > 0 ) {
document.launch.SIGFP_Label.options[0] = new Option( "None", "None", true, true );
document.launch.SIGFP_Label.selectedIndex = 0;
k = 1;
}
for( var j = 0; j < mtzs[i].labels.length; ++j ) {
if( mtzs[i].labels[j].type == "Q" ) {
var selected = false;
if( k == 0 ) selected = true;
f.SIGFP_Label.options[k] = new Option( mtzs[i].labels[j].name, mtzs[i].labels[j].name, selected, selected );
++k;
}
}
document.launch.SIGFP_Label.options[0].selected = true;
document.launch.FreeR_flag_Label.options.length = 0;
k = 0;
for( var j = 0; j < mtzs[i].labels.length; ++j )
if( mtzs[i].labels[j].type == "I" ) ++k;
--k;
if( k > 0 ) {
document.launch.FreeR_flag_Label.options[0] = new Option( "None", "None", true, true );
document.launch.FreeR_flag_Label.selectedIndex = 0;
k = 1;
}
for( var j = 0; j < mtzs[i].labels.length; ++j ) {
if( mtzs[i].labels[j].type == "I" ) {
var selected = false;
if( k == 0 ) selected = true;
f.FreeR_flag_Label.options[k] = new Option( mtzs[i].labels[j].name, mtzs[i].labels[j].name, selected, selected );
++k;
}
}
document.launch.FreeR_flag_Label.options[0].selected = true;
document.launch.HLA_Label.options.length = 0;
document.launch.HLB_Label.options.length = 0;
document.launch.HLC_Label.options.length = 0;
document.launch.HLD_Label.options.length = 0;
f.HLA_Label.options[0] = new Option( "None", "None" );
f.HLB_Label.options[0] = new Option( "None", "None" );
f.HLC_Label.options[0] = new Option( "None", "None" );
f.HLD_Label.options[0] = new Option( "None", "None" );
k = 1;
for( var j = 0; j < mtzs[i].labels.length; ++j ) {
if( mtzs[i].labels[j].type == "A" ) {
if( mtzs[i].labels[j].type == "HLA" )
f.HLA_Label.options[k] = new Option( mtzs[i].labels[j].name, mtzs[i].labels[j].name, true, true );
else
f.HLA_Label.options[k] = new Option( mtzs[i].labels[j].name, mtzs[i].labels[j].name );
if( mtzs[i].labels[j].type == "HLB" )
f.HLB_Label.options[k] = new Option( mtzs[i].labels[j].name, mtzs[i].labels[j].name, true, true );
else
f.HLB_Label.options[k] = new Option( mtzs[i].labels[j].name, mtzs[i].labels[j].name );
if( mtzs[i].labels[j].type == "HLC" )
f.HLC_Label.options[k] = new Option( mtzs[i].labels[j].name, mtzs[i].labels[j].name, true, true );
else
f.HLC_Label.options[k] = new Option( mtzs[i].labels[j].name, mtzs[i].labels[j].name );
if( mtzs[i].labels[j].type == "HLD" )
f.HLD_Label.options[k] = new Option( mtzs[i].labels[j].name, mtzs[i].labels[j].name, true, true );
else
f.HLD_Label.options[k] = new Option( mtzs[i].labels[j].name, mtzs[i].labels[j].name );
++k;
}
}
break;
}
}
}
function clearHL( f, el ) {
if( el.selectedIndex == 0 ) {
f.HLA_Label.selectedIndex = 0;
f.HLB_Label.selectedIndex = 0;
f.HLC_Label.selectedIndex = 0;
f.HLD_Label.selectedIndex = 0;
}
}
var mtzs = new Array( 5 );
</td></tr></tbody></table>
<p></p><hr noshade="noshade"><p><b>ERROR in /d2/usr/sakura/buster/buffet/cgi-bin/inputform.cgi</b>
</p><p>
The following return values are set:
</p><ul>
<li>Child error = 0
</li><li>OS error = No such file or directory
</li><li>Eval error = 0
</li></ul>
<p>
<b>Error message : </b> <font color="#cc00ee">Error parsing the mtzdump
output of /d2/usr/sakura/buster/users/sakura/None.buster/datafiles/Barnase.mtz
Cell/symmetry/resolution information is missing</font>
</p><hr noshade="noshade"><font size="-2">
<address><a href="http://www.globalphasing.com/">Buster Development Group</a></address>
</font></form></body></html>