2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
4 <String Name="CommandLine">select -select 'resname RA RD and y < 2.5'</String>
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6 <AnalysisData Name="occupancy">
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24 <Real Name="Value">0.500000</Real>
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103 <DataFrame Name="Frame8">
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117 <OutputFiles Name="Files">
118 <String Name="-ofpdb"><![CDATA[
120 REMARK THIS IS A SIMULATION BOX
121 CRYST1 100.000 100.000 100.000 90.00 90.00 90.00 P 1 1
123 ATOM 1 CB RA 2 10.000 10.000 0.000 1.00 0.00
124 ATOM 2 S1 RA 2 10.000 20.000 0.000 0.50 0.00
125 ATOM 3 S2 RA 2 10.000 30.000 0.000 0.50 0.00
126 ATOM 4 CB RB 3 10.000 40.000 0.000 0.00 0.00
127 ATOM 5 S1 RB 3 20.000 10.000 0.000 0.00 0.00
128 ATOM 6 S2 RB 3 20.000 20.000 0.000 0.00 0.00
129 ATOM 7 CB RA 4 20.000 30.000 0.000 0.50 0.00
130 ATOM 8 S1 RA 4 20.000 40.000 0.000 0.50 0.00
131 ATOM 9 S2 RA 4 30.000 10.000 0.000 1.00 0.00
132 ATOM 10 CB RC 5 30.000 20.000 0.000 0.00 0.00
133 ATOM 11 S1 RC 5 30.000 30.000 0.000 0.00 0.00
134 ATOM 12 S2 RC 5 30.000 40.000 0.000 0.00 0.00
135 ATOM 13 CB RD 1 40.000 10.000 0.000 1.00 0.00
136 ATOM 14 S1 RD 1 40.000 20.000 0.000 0.50 0.00
137 ATOM 15 S2 RD 1 40.000 30.000 0.000 0.00 0.00