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nufang19a

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[½»Á÷] ¡¾ÇóÖú¡¿Ñ¡È¡the water molecules inside the channels to maintain the structural s ÒÑÓÐ2È˲ÎÓë

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ÔÚ²úÉúpsfÎļþǰ£¬ÎÒ²»Ì«Çå³þÔõÑùѡȡͨµÀÖеÄË®·Ö×Ó£¬ÎÒ×Ô¼ºÑ¡ÁËһϣ¬´ó¼Ò¿´Ò»ÏÂÎÒÑ¡µÄ¶Ô²»¶Ô£¬ÆÚ´ý´ó¼ÒµÄÖ¸µã£¬ÏÈллÁË£º
֮ǰÎÒÊÇÀûÓÃÌæ»»¾ØÕóµÄ·½·¨¹¹½¨ÁËÒ»¸öËľÛÌåΪ1YMG-all.pdb

mol load pdb 1YMG-all.pdb

foreach S { A B C D } {
set seg [atomselect top "segname $S and chain A"]
$seg writepdb seg$S.pdb
$seg delete
}

foreach S { A B C D } {
set wat [atomselect top "segname $S and resname HOH and resid 524 579 417 433 447 448 453 462 469 470 477 480 490 491 492 493 501 507 513 515 518 519 520 522 523 529 531 532 539 542 544 546 551 553 558 559 562 563 564 566 567 569 572 573 576 578 581"]
$wat writepdb crystwat$S.pdb
$wat delete
}

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mol load pdb 1YMG-all.pdb

foreach S { A B C D } {
set seg [atomselect top "segname $S and chain A"]
$seg writepdb seg$S.pdb
$seg delete
}

foreach S { A B C D } {
set wat [atomselect top "segname $S and resname HOH and within 12.14 of chain A"]
$wat writepdb crystwat$S.pdb
$wat delete
}
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nufang19a

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ghcacj(½ð±Ò+2): лл 2011-02-16 13:03:21
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Originally posted by nufang19a at 2011-02-16 08:26:23:
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ÔÚ²úÉúpsfÎļþǰ£¬ÎÒ²»Ì«Çå³þÔõÑùѡȡͨµÀÖеÄË®·Ö×Ó£¬ÎÒ×Ô¼ºÑ¡ÁËһϣ¬´ó¼Ò¿´Ò»ÏÂÎÒÑ¡µÄ¶Ô²»¶Ô£¬ÆÚ´ý´ó¼ÒµÄÖ¸µã£¬ÏÈллÁË£º
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Life, Love, Laugh.
2Â¥2011-02-16 09:23:00
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nufang19a

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3Â¥2011-02-16 09:32:57
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nufang19a

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#mol load pdb 1YMG-all.pdb
#set model [atomselect top "protein and water and index 411 415 455 426 407 436"]
#$model writepdb abc.pdb
#exit
5Â¥2011-02-16 12:35:13
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