From: Miguel <mig...@us...> - 2004-08-28 02:46:46
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Update of /cvsroot/jmol/Jmol/samples/shelx In directory sc8-pr-cvs1.sourceforge.net:/tmp/cvs-serv17866/samples/shelx Added Files: vmdtest.res Log Message: added vmdtest + removed bad NPE in TransformManager --- NEW FILE: vmdtest.res --- TITL Converted by XX2shx - Keith Refson CELL 1.54180 8.619649 8.627482 6.9505 79.93961 103.2911 120.0852 LATT -1 SFAC Mg H O Na H 2 0.3803954940000 0.0244621330000 0.5977067320000 0 H 2 0.2516617170000 0.9691028900000 0.3905175400000 0 H 2 0.4241921160000 0.6990979420000 0.6138609680000 0 H 2 0.2279551190000 0.5546976190000 0.5237529360000 0 H 2 0.6550669050000 0.3126855410000 0.4706959040000 0 H 2 0.7405410780000 0.5139525940000 0.5178247760000 0 H 2 0.9623043780000 0.2202554760000 0.6277921440000 0 H 2 -0.0718827100000 0.2457685950000 0.3964457000000 0 H 2 0.0390963500000 0.8191549880000 0.5421302320000 0 H 2 0.8531347940000 0.8033627730000 0.5502814520000 0 O 3 0.1412130180000 0.2240108100000 0.1585782800000 0 O 3 0.1351133760000 0.5536728160000 0.1565034240000 0 O 3 0.1410255880000 0.8903289190000 0.1539839560000 0 O 3 0.4752852020000 0.2220830490000 0.1510198760000 0 O 3 0.4736688100000 0.5536468770000 0.1610977480000 0 O 3 0.4757496430000 0.8934976930000 0.1567998320000 0 O 3 0.8033012730000 0.2222264830000 0.1508716720000 0 O 3 0.8045477340000 0.5518897380000 0.1508716720000 0 O 3 0.8062511240000 0.8923394930000 0.1560588120000 0 O 3 0.2074980760000 0.1319426650000 0.8692164600000 0 O 3 0.2100217300000 0.4654172810000 0.8745518040000 0 O 3 0.2086624530000 0.7933189140000 0.8727733560000 0 O 3 0.5384997030000 0.1263412450000 0.8625472800000 0 O 3 0.5378742810000 0.4646382410000 0.8678826240000 0 O 3 0.5384395660000 0.7937776530000 0.8718841320000 0 O 3 0.8750892320000 0.1299605280000 0.8666969920000 0 O 3 0.8772664580000 0.4645516810000 0.8671416040000 0 O 3 0.8725146790000 0.7986771140000 0.8727733560000 0 O 3 0.2691054160000 0.0192460510000 0.5158981240000 0 O 3 0.3565270430000 0.6168427470000 0.5071540880000 0 O 3 0.6280191700000 0.3952495060000 0.5181211840000 0 O 3 0.0248101690000 0.2826192900000 0.5135268600000 0 O 3 0.9062079820000 0.7382476400000 0.5127858400000 0 Na 4 0.3257001410000 0.3251670870000 0.5101181680000 0 Mg 1 1.0071635310000 1.0103068320000 0.0143757880000 0 Mg 1 1.0079717930000 0.3450553670000 0.0106706880000 0 Mg 1 1.0058940310000 0.6751394450000 0.0103742800000 0 Mg 1 0.3406306360000 1.0097672650000 0.0081512200000 0 Mg 1 0.3415262290000 0.3434124890000 0.0154132160000 0 Mg 1 0.3413688110000 0.6756448430000 0.0234162320000 0 Mg 1 0.6726910800000 1.0087834340000 0.0109670960000 0 Mg 1 0.6718684530000 0.3440356050000 0.0014820400000 0 Mg 1 0.6740955230000 0.6757086980000 0.0182290920000 0 END |