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[Jmol-commits] CVS: Jmol/samples/pdb 1CRN.pdb,NONE,1.1 1GFL.pdb,NONE,1.1 readme.txt,1.1,1.2 1crn.pdb,1.1,NONE 1gfl.pdb,1.1,NONE
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From: Miguel <mig...@us...> - 2004-08-24 16:11:19
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Update of /cvsroot/jmol/Jmol/samples/pdb In directory sc8-pr-cvs1.sourceforge.net:/tmp/cvs-serv22360 Modified Files: readme.txt Added Files: 1CRN.pdb 1GFL.pdb Removed Files: 1crn.pdb 1gfl.pdb Log Message: changed some pdb files to uppercase + added descriptions --- NEW FILE: 1CRN.pdb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pdb --- HEADER FLUORESCENT PROTEIN 23-AUG-96 1GFL TITLE STRUCTURE OF GREEN FLUORESCENT PROTEIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: GREEN FLUORESCENT PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES; COMPND 5 MUTATION: Q80R SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: AEQUOREA VICTORIA; SOURCE 3 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 4 EXPRESSION_SYSTEM_PLASMID: PTU58 KEYWDS FLUOROPHORE GREEN FLUORESCENT PROTEIN, LUMINESCENCE EXPDTA X-RAY DIFFRACTION AUTHOR F.YANG,L.G.MOSS,G.N.PHILLIPS JUNIOR REVDAT 1 11-JAN-97 1GFL 0 JRNL AUTH F.YANG,L.G.MOSS,G.N.PHILLIPS JUNIOR JRNL TITL THE MOLECULAR STRUCTURE OF GREEN FLUORESCENT JRNL TITL 2 PROTEIN JRNL REF NAT.BIOTECHNOL. V. 14 1246 1996 [...4286 lines suppressed...] HETATM 3935 O HOH 283 35.308 40.864 9.652 0.70 62.90 O HETATM 3936 O HOH 284 40.896 62.307 -0.938 1.00 61.90 O HETATM 3937 O HOH 285 28.758 72.758 6.367 0.65 55.20 O HETATM 3938 O HOH 286 -12.332 78.434 -0.711 0.51 38.80 O HETATM 3939 O HOH 287 -10.230 64.440 3.274 0.36 13.70 O HETATM 3940 O HOH 288 -13.933 71.969 1.837 1.00 60.20 O HETATM 3941 O HOH 289 -11.228 86.712 -17.439 0.75 45.50 O HETATM 3942 O HOH 290 43.512 65.002 10.684 0.65 42.50 O HETATM 3943 O HOH 291 -11.301 59.032 -10.008 0.26 19.70 O HETATM 3944 O HOH 292 23.597 76.252 5.407 1.00 55.40 O HETATM 3945 O HOH 293 24.251 61.744 -1.121 0.37 28.60 O HETATM 3946 O HOH 294 30.447 44.134 27.494 0.66 43.70 O HETATM 3947 O HOH 295 28.967 53.893 -16.650 0.37 26.30 O HETATM 3948 O HOH 296 36.575 56.482 31.910 0.93 50.60 O HETATM 3949 O HOH 297 -15.453 70.201 6.504 0.73 41.70 O HETATM 3950 O HOH 298 14.597 88.956 -0.152 0.58 36.40 O HETATM 3951 O HOH 299 -5.080 50.119 10.211 1.00 50.40 O HETATM 3952 O HOH 300 8.542 77.091 9.237 0.55 39.00 O MASTER 256 0 0 12 24 0 0 9 3950 2 0 38 END Index: readme.txt =================================================================== RCS file: /cvsroot/jmol/Jmol/samples/pdb/readme.txt,v retrieving revision 1.1 retrieving revision 1.2 diff -u -r1.1 -r1.2 --- readme.txt 15 Jul 2004 14:36:53 -0000 1.1 +++ readme.txt 24 Aug 2004 16:11:03 -0000 1.2 @@ -1,2 +1,23 @@ +114D - dna with some HOH +1A00 - hemoglobin ... nothing strange +1A7C - ? +1ALE - multiple conformations ... small +1ALM - alpha carbons only ... large +1ARJ - multiple conformations ... large +1B07 - ? +1CRN - RasMol classic +1D66 - DNA + protein ... group 28 is oriented incorrectly +1D68 - short dna section +1EBL - ? +1GFL - green florescent +1IHA - ? +1LCD - multiple conformations 1MBO - has strange FORMUL records because the HEM is on two lines -1ALM - alpha carbons only +1NE6 - ? +1OHG - large spiral +1OLD - dna with something hanging off of it +233D - dna with something strange +2CYH - ? +3DFR - ? +3OVO - ? +5CRO - ? --- 1crn.pdb DELETED --- --- 1gfl.pdb DELETED --- |