±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 2382  |  »Ø¸´: 8

Ã×ß÷ß÷

гæ (СÓÐÃûÆø)

[ÇóÖú] AUTODUCKÄܲ»ÄÜ×öËľÛÌ壿

ÏÂÔØÁËÒ»¸öPDBÎļþ¡£¡£¡£
µ¼Ê¦ËµÒªÆ´³ÉËľÛÌ壬Õâ¸öPDBÎļþÖ»Êǵ¥¾ÛÌå¡£ÎÒÊÔ×ÅÓÃÆäËûÈí¼þÆ´³ÉËľÛÌ壬¶Á½øAUTODUCKʱ£¬È¥Ë®¼ÓÇâʱ£¬¼ÓÇâʱ×ÜÊÇÏÔʾ¡°could not fint atomic munber for Ap Ap"...
ÎÒÒ²²»ÊǺܶ®£¬²»¹ýÈç¹ûÊǵ¥¶ÀÕâ¸öµ¥¾ÛÌåµÄPDB£¬ÊÇ¿ÉÒÔ¼ÓÇâµÄ¡£
ËùÒÔ¿ÉÄÜÊÇŪËľÛÌåʱµÄÎÊÌâ¡£
Çë½Ìһϴó¼Ò£¬ÄÜÓÃAUTODUCKÆ´ËľÛÌåÂð£¿Èç¹û¿ÉÒÔ£¬Ôõô×ö£¿Çë´ó¼Ò°ïæ¡£
»Ø¸´´ËÂ¥

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

ÌìÓÀÔ¶²»»áËú¡«²»ÒªÅ¡«
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

DMandMD

½ð³æ (³õÈëÎÄ̳)

¡ï ¡ï
Óù½£½­ºþ(½ð±Ò+2): лл 2011-12-31 17:54:12
µ¥¾ÛÌåÊÇʲô£¿·Ö×ÓÁ¿¶àÉÙ£¿AUTODUCK²»ÄÜÆ´³ÉËľÛÌ壬¿ÉÒÔÊÖ¹¤×öºÃºó·Å½øÈ¥¡£ÄãÎÊÌⲻ̫Çå³þ°¡¡­¡­

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

2Â¥2011-12-30 09:26:32
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

leo1252

½ð³æ (ÕýʽдÊÖ)

¡ï ¡ï ¡ï
Óù½£½­ºþ(½ð±Ò+3): лл 2011-12-31 17:54:20
Ö»ÓùýAutoDock ûÓÐÓùýautoduck£¬Èç¹ûµ°°×Æ´½ÓΪËľÛÌåµÄʱºò£¬»¹ÊÇҪʮ·ÖСÐĵģ¬Ð¡µÄÅöײ¶¼¿ÉÄܶԺóÐø½á¹ûÓ°ÏìºÜ´ó

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

3Â¥2011-12-30 19:04:48
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

Ã×ß÷ß÷

гæ (СÓÐÃûÆø)

ËÍÏÊ»¨Ò»¶ä
ÒýÓûØÌû:
Â¥: Originally posted by DMandMD at 2011-12-30 09:26:32:
µ¥¾ÛÌåÊÇʲô£¿·Ö×ÓÁ¿¶àÉÙ£¿AUTODUCK²»ÄÜÆ´³ÉËľÛÌ壬¿ÉÒÔÊÖ¹¤×öºÃºó·Å½øÈ¥¡£ÄãÎÊÌⲻ̫Çå³þ°¡¡­¡­

лл°¡¡«ÎҲŽӴ¥¡«ÊÖ¹¤ÅªÁËÒ»¸öÁË¡«·Å½øÈ¥ºÃÏñ²»Ì«¿ÉÒÔ¡«ÎÒÔÙÊÔÊÔ¡«²»¶®ÔÙÇë½ÌÄã¡«
ÌìÓÀÔ¶²»»áËú¡«²»ÒªÅ¡«
4Â¥2012-01-02 13:55:11
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

Ã×ß÷ß÷

гæ (СÓÐÃûÆø)

ËÍÏÊ»¨Ò»¶ä
ÒýÓûØÌû:
Â¥: Originally posted by leo1252 at 2011-12-30 19:04:48:
Ö»ÓùýAutoDock ûÓÐÓùýautoduck£¬Èç¹ûµ°°×Æ´½ÓΪËľÛÌåµÄʱºò£¬»¹ÊÇҪʮ·ÖСÐĵģ¬Ð¡µÄÅöײ¶¼¿ÉÄܶԺóÐø½á¹ûÓ°ÏìºÜ´ó

ллÄ㡤ÎÒÒ²¶Ô×Ô¼ºÎÞÓïÁË¡«Á¬·¢Ìù¶¼´ò´í¡«
¹þ¹þ¡«ÎÒÆ´ÁËÒ»¸öËľÛÌå¡«ÓÃPYMOL¡«ÏÈ¿´Ò»ÏÂÏÈ¡«
ÌìÓÀÔ¶²»»áËú¡«²»ÒªÅ¡«
5Â¥2012-01-02 13:56:27
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

leo1252

½ð³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
Óù½£½­ºþ(½ð±Ò+3): ¹ÄÀø½»Á÷ 2012-01-04 19:14:56
ÒýÓûØÌû:
5Â¥: Originally posted by Ã×ß÷ß÷ at 2012-01-02 13:56:27:
ллÄ㡤ÎÒÒ²¶Ô×Ô¼ºÎÞÓïÁË¡«Á¬·¢Ìù¶¼´ò´í¡«
¹þ¹þ¡«ÎÒÆ´ÁËÒ»¸öËľÛÌå¡«ÓÃPYMOL¡«ÏÈ¿´Ò»ÏÂÏÈ¡«

¼ÈÈ»ËľÛÌåÒѾ­Æ´½ÓÆðÀ´£¬ÄÇôÄãÊ×ÏÈҪȷ¶¨ÄãÆ´½ÓµÄËľÛÌåµÄ½á¹¹ÊÇ·ñ¿É¿¿£¬ÒòΪÄãÊÖ¶¯Æ´½ÓÓкܴóµÄÈËΪÒòËØ£¬ÄãÆ´½ÓµÄ½á¹¹ÊÇ·ñ¿É¿¿¾ÍÓдý¿¼¾¿¡£
6Â¥2012-01-04 16:47:58
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

12345123456

¾èÖú¹ó±ö (ÕýʽдÊÖ)

¿ÆÑм¼Êõ·þÎñ£¬Î¢ÉúÎïÑо¿


¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
ÎÒÃǼ¼Êõ³£Ëµ£¬ËľÛÌåÊǸöºÜרµÄÁìÓò£¬ÏÖÔÚÔÚ±±¾©²»³£ÓУ¬ÕâÏî¼¼ÊõµÄ¼Û¸ñ±È½Ï¸ß¡£Èç¹ûÏë½øÒ»²½Á˽⣬ÎÒÃÇ»¶Ó­½»Á÷
7Â¥2012-04-10 14:40:09
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

·¼ÏãÖ®Óñ

гæ (³õÈëÎÄ̳)

¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
ÔÂÖ»À¶: ½ð±Ò+1, ¹ÄÀø½»Á÷£¡ 2014-02-16 10:14:48
ÔÂÖ»À¶: ½ð±Ò+5, ¹ÄÀøÐÂÊÖ²ÎÓëÌÖÂÛ¡£ 2014-02-16 10:14:54
ÒýÓûØÌû:
3Â¥: Originally posted by leo1252 at 2011-12-30 19:04:48
Ö»ÓùýAutoDock ûÓÐÓùýautoduck£¬Èç¹ûµ°°×Æ´½ÓΪËľÛÌåµÄʱºò£¬»¹ÊÇҪʮ·ÖСÐĵģ¬Ð¡µÄÅöײ¶¼¿ÉÄܶԺóÐø½á¹ûÓ°ÏìºÜ´ó

ÇëÎÊÒ»ÏÂÄú¶ÔAutoduckÊǺÜרҵµÄ°É£¿ÄܰïæÉè¼ÆÒ»¸öAutoduckÕë¶Ôijһ°Ðµãµ°°×µÄ²ÊͼÂ𣿸¶·ÑµÄÒ²¿ÉÒÔ¡£Èç¹û¿ÉÒÔÇë»Ø¸´£¬Ð»Ð»¡£
8Â¥2014-02-16 08:45:22
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

fengrui826

гæ (СÓÐÃûÆø)

Ëͺ컨һ¶ä
ÄúºÃ£¬ÏëÎÊÄúÒ»ÏÂÔõÑùÆ´½Ó³ÉËľÛÌ壿ÎÒÒ²Óöµ½ÁËͬÑùµÄÎÊÌ⣬ÏÂÔØµÄµ¥¾ÛÌåÏëÆ´½Ó³ÉËľÛÌå½øÐжԽÓÑо¿£¬ÏëÎÊÄúÊÇʹÓÃʲôÈí¼þ½øÐÐÆ´½ÓµÄ£¿
9Â¥2017-10-26 11:20:56
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ Ã×ß÷ß÷ µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 085600£¬320·ÖÇóµ÷¼Á +15 ´ó²öС×Ó 2026-04-04 16/800 2026-04-06 06:34 by houyaoxu
[¿¼ÑÐ] »¯Ñ§357·Ö£¬¿¼Ñе÷¼Á +11 .Starry. 2026-04-04 12/600 2026-04-06 06:28 by houyaoxu
[¿¼ÑÐ] 070300»¯Ñ§Ñ§Ë¶311·ÖÇóµ÷¼Á +9 Áº¸»¹óÏÕÖÐÇó 2026-04-04 9/450 2026-04-06 06:24 by houyaoxu
[¿¼ÑÐ] ÕÒµ÷¼Á +10 ³þÇÇÇÇ 2026-04-01 10/500 2026-04-05 22:19 by syh9288
[¿¼ÑÐ] 081200-11408-276ѧ˶Çóµ÷¼Á +4 ´Þwj 2026-04-05 4/200 2026-04-05 20:29 by à£à£à£0119
[¿¼ÑÐ] ¹¤¿Æ08-»úеר˶-Çóµ÷¼Á +3 À×Å··ÉÌß 2026-04-02 3/150 2026-04-05 18:49 by À¶ÔÆË¼Óê
[¿¼ÑÐ] Ò»Ö¾Ô¸Çà¿Æ085500£¬³õÊÔ295·Ö£¬¹«¹²¿Î213·Ö +3 Óöµ½µÄÈËÔ¸Íû¶¼Ä 2026-04-05 3/150 2026-04-05 18:45 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 271·ÖÇóµ÷¼ÁѧУ +12 zph158488£¡ 2026-04-02 13/650 2026-04-05 10:13 by lqwchd
[¿¼ÑÐ] ²ÄÁÏ»¯¹¤306·ÖÕÒºÏÊʵ÷¼Á +14 ²×º£ÇáÖÛe 2026-04-04 14/700 2026-04-05 09:53 by ÖìÔÆ»¢202
[¿¼ÑÐ] 323·Ö£¨¼ÆËã»úÊÓ¾õºÍ´óÄ£ÐÍÏîÄ¿£©ÄÜÖ±½ÓÉÏÊÖ +3 chaoxiicy 2026-04-01 3/150 2026-04-05 00:50 by chongya
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤306·ÖÕÒµ÷¼Á +23 ²×º£ÇáÖÛe 2026-04-02 27/1350 2026-04-04 21:52 by laoshidan
[¿¼ÑÐ] »·¾³¿ÆÑ§Ó빤³Ì334·ÖÇóµ÷¼Á +9 ÍõÒ»Ò»ÒÀÒÀ 2026-03-30 12/600 2026-04-04 20:55 by dongzh2009
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©¿Æ¼¼´óѧ²ÄÁϹ¤³Ì085601£¬Çóµ÷¼Á +17 cdyw 2026-04-02 18/900 2026-04-04 11:14 by w_xuqing
[¿¼ÑÐ] 295Çóµ÷¼Á +3 ÉÐټѽ 2026-04-03 4/200 2026-04-03 21:23 by zhq0425
[»ù½ðÉêÇë] esi¸ß±»ÒýÂÛÎÄÊDz»ÊÇÄܶÔÖбêÓÐËù¼Ó·ÖºÍ°ïÖúÄØ +5 redcom 2026-04-01 6/300 2026-04-03 15:15 by Howard28
[¿¼ÑÐ] 279Çóµ÷¼Á +5 ¸µÎÄÇï 2026-04-02 5/250 2026-04-02 18:10 by ±ÊÂä½õÖÝ
[¿¼ÑÐ] Ò»Ö¾Ô¸ÏÃÃÅ´óѧ»¯Ñ§¹¤³Ì£¨×¨Ë¶£©-Êý¶þÓ¢¶þ406·Ö-Çóµ÷¼Á +5 Ïô󻯹¤ 2026-04-01 5/250 2026-04-02 10:03 by jp9609
[¿¼ÑÐ] Çóµ÷¼Á0703 +5 ÖܼÎÒ¢ 2026-03-31 8/400 2026-04-01 20:32 by ltltkkk
[¿¼ÑÐ] Çóµ÷¼Á +4 ͼ¼ø212 2026-03-30 5/250 2026-04-01 15:32 by ͼ¼ø212
[¿¼ÑÐ] 08¹¤¿Æ£¬295£¬½ÓÊÜ¿çרҵµ÷¼Á +6 lmnlzy 2026-03-31 6/300 2026-04-01 11:02 by ÄæË®³Ë·ç
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û