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ÔÚ´´½¨¼ØÀë×ÓͨµÀµ°°×ËľÛÌåʱ³öÏÖÎÊÌ⣬ÎÒ°´ÕÕtutorial²Ù×÷µÄ¹ý³ÌÈçÏ£º ÔÚ01-BUILDĿ¼Ï£º vmd Extensions ¡ª¡ª¡·Tk Console mol load pdb 1K4C.pdb set all [atomselect top all] $all set segname A $all writepdb KCSA-A.pdb $all delete set sel [atomselect top "all and not name K"] $sel set segname B $sel move {{-1.0 0.0 0.0 310.66} {0.0 -1.0 0.0 310.66} {0.0 0.0 1.0 0.0} {0.0 0.0 0.0 1.0}} $sel writepdb KCSA-B.pdb $sel delete mol delete top mol load pdb 1K4C.pdb set sel [atomselect top "all and not name K"] $sel set segname C $sel move {{0.0 -1.0 0.0 310.66} {1.0 0.0 0.0 0.0} {0.0 0.0 1.0 0.0} {0.0 0.0 0.0 1.0}} $sel writepdb KCSA-C.pdb $sel delete mol delete top mol load pdb 1K4C.pdb set sel [atomselect top "all and not name K"] $sel set segname D $sel move {{0.0 1.0 0.0 0.0} {-1.0 0.0 0.0 310.66} {0.0 0.0 1.0 0.0} {0.0 0.0 0.0 1.0}} $sel writepdb KCSA-D.pdb $sel delete Exit VMD cat KCSA-A.pdb KCSA-B.pdb KCSA-C.pdb KCSA-D.pdb > KCSA.pdb gedit KCSA.pdb£¬È»ºó delete the lines: END CRYST1 155.330 155.330 76.270 90.00 90.00 90.00 P 1 1 Ôٴ洢ΪKCSA-ALL.pdb ÔÙ´ÎÔÚÔÚ01-BUILDĿ¼Ï´ò¿ªVMD£¬·¢ÏÖKCSA-ALL.pdb²»ÊÇËľÛÌå¹¹Ïó ¶ø01-BUILDĿ¼µÄexample-outÀïµÄKCSA-ALL.pdbÓÃvmd´ò¿ªºóÊÇËľÛÌå¹¹Ïó£º ÎҲ鿴ÁËÎÒµÄKCSA-A.pdb  KCSA-B.pdb   KCSA-C.pdb   KCSA-D.pdb ×ø±ê£¬·¢ÏÖ×ø±êûÓÐÖظ´µÄ°¡¡£È»ºóÓÃVMDÒÀ´Î´ò¿ª·¢ÏÖÕýºÃ¿ÉÒÔ¹¹³ÉÒ»¸öËľÛÌåµÄ¹¹Ï󣬶øÇÒºÍexample-outÀïµÄKCSA-ALL.pdbÒ»Ñù¡£ÕâÊÇÒÀ´Î´ò¿ªºóËù¹¹³ÉµÄͼÇë¿´£º

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