Znn3bq.jpeg
ÉÇÍ·´óѧº£Ñó¿ÆÑ§½ÓÊܵ÷¼Á
²é¿´: 3933  |  »Ø¸´: 9

songxiao60

Òø³æ (СÓÐÃûÆø)


[½»Á÷] ¡¾ÇóÖú¡¿¾§Ìå½á¹¹½âÎöÇóÖú

ÇóÖú
¾§Ìå½âÍêºó,ÓÐÈý¸öH2OÎÞ·¨È·¶¨ÊÇ·ñ´æÔÚ,ÔÚ²»ÃüÃûÕßÈý¸öQ·åλOǰ¼ì²âµÄ´íÎóΪ:
Alert level A
PLAT043_ALERT_1_A Check Reported Molecular Weight ................     608.93      
PLAT078_ALERT_1_A No H-atoms, but _solution_hydrogens reported as        geom      
PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) .......         O3     
PLAT601_ALERT_2_A Structure Contains Solvent Accessible VOIDS of .        530 A**3

¼ÓÉÏÕâÈý¸öOºó¼ì²âµÄ´íÎóΪ:
Alert level A
SHFSU01_ALERT_2_A  The absolute value of parameter shift to su ratio > 0.20
            Absolute value of the parameter shift to su ratio given   1.581
            Additional refinement cycles may be required.
PLAT080_ALERT_2_A Maximum Shift/Error ............................       1.58      
PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) .......         O3     
PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) .......         O4     
PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) .......         O5     
PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) .......         O6     
PLAT430_ALERT_2_A Short Inter D...A Contact  O1     ..  O4      ..       2.43 Ang.


ÏÖÔÚ²»ÖªµÀÈçºÎÈ·¶¨Õâ3¸öQ·åÊDz»ÊÇO,ÇÒ ¼ÓÉϺó ×öÍê¸÷ÏîÒìÐÔ,ÍÖÇò±ÈÆäËûµÄÒª¹ÖÒì,(¸ü´ó¸ü±â.ÌØÏò¸÷λ´óÅ£ÇóÖú!
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

» ÇÀ½ð±ÒÀ²£¡»ØÌû¾Í¿ÉÒԵõ½:

²é¿´È«²¿É¢½ðÌù

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yytsnake

ÖÁ×ðľ³æ (Ö°Òµ×÷¼Ò)


songxiao60(½ð±Ò+1): 2011-03-27 09:42:27
songxiao60(½ð±Ò+2): 2011-03-27 09:46:57
²ËÄñÖ®¼û£¬²ÐÁôQ·åÊÇ·ñΪO£¬Ò»ÊÇ¿´¾§ÌåÉú³É¹ý³ÌÖÐÊÇ·ñÓÐË®Éú³É»òÓÐË®´æÔÚ¡£¶þÊÇ¿´Q·åµÄÖµÓжà´ó£¨2+£©£¬ÈýÊÇ¿´Ö¸¶¨ÎªOºó£¬ÖÜΧÓÐÎÞÉú³ÉH¼üµÄ»·¾³¡£
ÄãµÄAÀàºÃÏóÊÇ˵£¬¾«ÐÞûÊÕÁ²£¬Ðè¼Ó´óÑ­»·´ÎÊý¡£Oû¼ÓH£¬Ó¦¸Ã¼ÓÉÏHÊÔÊÔ¡£
2Â¥2011-03-27 09:09:35
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

songxiao60

Òø³æ (СÓÐÃûÆø)


ллÄúµÄ»Ø´ð£¬ÎÒµÄQ·åÔÚ+2×óÓÒ£¬¼ÓÉÏÕâ3¸öoºó ¾«Ð޾Ͳ»ÊÕÁ²ÁË¡£¾§ÌåʵÔÚË®ÈÜÒºÖÐÉú³ÉµÄ£¬ÆäÖеÄÒ»¸öÓÎÀëË®ÊÇ¿ÉÒÔÈ·¶¨ µ«ÊÇÆäËûµÄ3¸öO¼ÓÉÏÖ®ºó £¬ÍÖÇòÓеã¹ÖÒ죬ÇÒ²»ÊÕÁ²ÁË¡£
3Â¥2011-03-27 09:45:47
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yytsnake

ÖÁ×ðľ³æ (Ö°Òµ×÷¼Ò)


¡ï
nash603(½ð±Ò+1): лл»ØÌù½»Á÷£¡ 2011-03-27 16:44:55
songxiao60(½ð±Ò+3): 2011-03-28 14:09:13
ÍÖÇòÀàËÆéÏé­Çòµ¹ÊÇÕý³££¬ÒòΪˮÊÜÆäËüµÄ×÷ÓÃÁ¦½ÏС£¬×î´óµÄÖ»ÓÐH¼üÁË¡£Ö»Òª¸øÓÎÀëË®¼ÓÉÏH£¬ÔÙ¼Ó´ó¾«ÐÞÑ­»·´ÎÊý£¬Ó¦¸ÃÊÇ¿ÉÒÔÊÕÁ²µÄ£¬ÔÚ·¢Ìû֮ʱ£¬ÕýѧןøË®¼ÓHÄØ£¬Á½¸öÅäλˮºÍÁù¸öÓÎÀëË®£¬ÊµÔÚÊǺܷѹ¦·ò£¬»¹ºÃ£¬CHECKCIFµÄ½á¹ûÊÇA¡¢BÀàÏûʧÁË£¬Ö»Ê£ÏÂCºÍG»¹ÓÐÒ»¶Ñ¡£
4Â¥2011-03-27 14:06:39
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lyl163com

½ð³æ (ÕýʽдÊÖ)


ÒýÓûØÌû:
Originally posted by yytsnake at 2011-03-27 14:06:39:
ÍÖÇòÀàËÆéÏé­Çòµ¹ÊÇÕý³££¬ÒòΪˮÊÜÆäËüµÄ×÷ÓÃÁ¦½ÏС£¬×î´óµÄÖ»ÓÐH¼üÁË¡£Ö»Òª¸øÓÎÀëË®¼ÓÉÏH£¬ÔÙ¼Ó´ó¾«ÐÞÑ­»·´ÎÊý£¬Ó¦¸ÃÊÇ¿ÉÒÔÊÕÁ²µÄ£¬ÔÚ·¢Ìû֮ʱ£¬ÕýѧןøË®¼ÓHÄØ£¬Á½¸öÅäλˮºÍÁù¸öÓÎÀëË®£¬ÊµÔÚÊǺܷѹ¦·ò£¬»¹ºÃ ...

¸Õ¿´µ½ÄãµÄÌû×Ó£¬ÎÒÒ²ÔÚѧןøË®·Ö×Ó¼ÓÇ⣬¿ÉϧÎÒһͷÎíË®ÎÞ´ÓÏÂÊÖ£¬´óÏÀÓÐûÓиøË®·Ö×Ó¼ÓÇâµÄÏà¹Ø×ÊÁÏ(ÈçÓÃwingx¼ÆËãË®·Ö×ÓµÄÇâÖ®ÀàµÄ)¸øÐ¡µÜ·ÖÏíһϣ¬²»Éõ¸Ð¼¤£¡ÎÒµÄÓÊÏä11me@163.com
5Â¥2011-03-27 16:53:29
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

songxiao60

Òø³æ (СÓÐÃûÆø)


ÓÎÀëË®µÄh¼ÓµÄ·½ÏòºÜÄÑÈ·¶¨£¬¼ÓÍêºó³öÏîAÀà´íÎó ˵¼ÓµÄHµÄ·½Ïò²»¶Ô£¬ÓôÃÆ£¬ÇëÎÊÄúÊÇÔõôȷ¶¨HµÄ·½ÏòµÄ¡£

[ Last edited by songxiao60 on 2011-3-28 at 14:13 ]
6Â¥2011-03-28 14:11:35
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

songxiao60

Òø³æ (СÓÐÃûÆø)


ÒýÓûØÌû:
Originally posted by yytsnake at 2011-03-27 14:06:39:
ÍÖÇòÀàËÆéÏé­Çòµ¹ÊÇÕý³££¬ÒòΪˮÊÜÆäËüµÄ×÷ÓÃÁ¦½ÏС£¬×î´óµÄÖ»ÓÐH¼üÁË¡£Ö»Òª¸øÓÎÀëË®¼ÓÉÏH£¬ÔÙ¼Ó´ó¾«ÐÞÑ­»·´ÎÊý£¬Ó¦¸ÃÊÇ¿ÉÒÔÊÕÁ²µÄ£¬ÔÚ·¢Ìû֮ʱ£¬ÕýѧןøË®¼ÓHÄØ£¬Á½¸öÅäλˮºÍÁù¸öÓÎÀëË®£¬ÊµÔÚÊǺܷѹ¦·ò£¬»¹ºÃ ...

ÓÎÀëË®µÄh¼ÓµÄ·½ÏòºÜÄÑÈ·¶¨£¬¼ÓÍêºó³öÏîAÀà´íÎó ˵¼ÓµÄHµÄ·½Ïò²»¶Ô£¬ÓôÃÆ£¬ÇëÎÊÄúÊÇÔõôȷ¶¨HµÄ·½ÏòµÄ¡£
7Â¥2011-03-28 14:12:10
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yytsnake

ÖÁ×ðľ³æ (Ö°Òµ×÷¼Ò)


songxiao60(½ð±Ò+5): 2011-03-31 09:12:14
ÔÚINSÎļþÖмÓÈëHTABÃüÁ¾«ÐÞºóÔÚLISÎļþÖÐÓÐÇâ¼üÁбíºÍ½¨ÒéµÄHλÖ㬿ɽâ¾ö´ó²¿·ÖÎÊÌâ¡£
8Â¥2011-03-28 15:04:27
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

±ùÑ©ÏãÏãÇÑ

Òø³æ (СÓÐÃûÆø)


¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÒýÓûØÌû:
8Â¥: Originally posted by yytsnake at 2011-03-28 15:04:27
ÔÚINSÎļþÖмÓÈëHTABÃüÁ¾«ÐÞºóÔÚLISÎļþÖÐÓÐÇâ¼üÁбíºÍ½¨ÒéµÄHλÖ㬿ɽâ¾ö´ó²¿·ÖÎÊÌâ¡£

ÄúºÃ£¬ÄÜ·ñÂé·³Äú°ïÎÒ½â¸ö¾§Ìå°¡£¿
   Íò·Ö¸Ðл
9Â¥2014-11-06 09:56:25
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yytsnake

ÖÁ×ðľ³æ (Ö°Òµ×÷¼Ò)


¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÒýÓûØÌû:
9Â¥: Originally posted by ±ùÑ©ÏãÏãÇÑ at 2014-11-06 09:56:25
ÄúºÃ£¬ÄÜ·ñÂé·³Äú°ïÎÒ½â¸ö¾§Ìå°¡£¿
   Íò·Ö¸Ðл...

ˮƽÓÐÏÞ£¬²»¹ý¿É·¢Êý¾ÝÉÏÀ´ÊÔÒ»ÊÔ¡£
10Â¥2014-11-06 12:07:26
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ songxiao60 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸»ªÖÐũҵ071010£¬320Çóµ÷¼Á +5 À§À§À§À§À¤À¤ 2026-04-14 6/300 2026-04-14 23:54 by Xurambo2014
[¿¼ÑÐ] 367Çóµ÷¼Á +11 hffQAQ 2026-04-09 11/550 2026-04-14 17:48 by lhj2009
[¿¼ÑÐ] 296Çóµ÷¼Á +8 Íô£¡£¿£¡ 2026-04-09 9/450 2026-04-14 15:15 by ÄæË®³Ë·ç
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤329·ÖÇóµ÷¼Á +24 Ò¶zilin 2026-04-13 25/1250 2026-04-14 09:20 by ÊÔ¹ÜÆÆÁÑ
[¿¼ÑÐ] ¿¼ÑÐÇóµ÷¼Á +12 ×ÓľÄÅ 2026-04-12 13/650 2026-04-14 01:19 by Íõ¬Bè±
[¿¼ÑÐ] һ־Ը˫·Ç085400µç×ÓÐÅÏ¢344 Çóµ÷¼Á£¬¶Ô²ÄÁϺͻ¯Ñ§·½ÏòÒ²¸ÐÐËȤ +12 ÎÞÇéµÄСÑò 2026-04-09 13/650 2026-04-13 14:17 by ÕÅzhihao
[¿¼ÑÐ] 290Çóµ÷¼Á +18 ¿Â»´È» 2026-04-12 20/1000 2026-04-13 12:56 by cyh¡ª315
[¿¼ÑÐ] ÉúÎïѧµ÷¼Á£¬Ò»Ö¾Ô¸Î÷ÄÏ´óѧ348£¬TopÆÚ¿¯Ò»Çø¶þ×÷¡¢¶þÇøÈý×÷£¬ÈýµÈ½±Ñ§½ðÈý´Î +5 candyyyi 2026-04-09 5/250 2026-04-13 09:02 by ¿Éµ­²»¿ÉÍü
[¿¼ÑÐ] 322Çóµ÷¼Á£¬08¹¤¿Æ +4 ½ñÌìÊǸöСºÅ 2026-04-08 4/200 2026-04-13 00:20 by baobaoye
[¿¼ÑÐ] Ò»Ö¾Ô¸»ªÖÐũ΢ÉúÎ288·Ö£¬ÈýÄêʵÑé¾­Àú +11 ´úfish 2026-04-09 11/550 2026-04-12 10:21 by Hayaay
[¿¼ÑÐ] 085410 273Çóµ÷¼Á +10 X1999 2026-04-09 10/500 2026-04-12 09:24 by ÄæË®³Ë·ç
[¿¼ÑÐ] 352 Çóµ÷¼Á +6 yzion 2026-04-11 8/400 2026-04-11 16:24 by Ã÷Ô´ËʱÓÐ
[¿¼ÑÐ] »úеר˶270Çóµ÷¼Á£¬½ÓÊÜ¿çרҵ +12 ÀÏʦ¿´¿´ÎÒ°Éaba 2026-04-09 14/700 2026-04-11 10:21 by laoshidan
[¿¼ÑÐ] ¼ÆËã»úÀàÇóµ÷¼Á£¬22408-274·Ö +7 Éϰ¶deС³æ 2026-04-09 8/400 2026-04-10 19:56 by fxue1114
[¿¼ÑÐ] Çóµ÷¼Á +5 ²»»á·ÉµÄÓã@ 2026-04-10 5/250 2026-04-10 19:07 by chemisry
[ÂÛÎÄͶ¸å] mdpiСÐÞrvrʱ¼äËÄÎåÌìÁË 20+3 ¹þ¹þhigh 2026-04-08 5/250 2026-04-10 16:02 by ±±¾©À³ÒðÈóÉ«
[¿¼ÑÐ] Çൺ¿Æ¼¼´óѧ²ÄÁÏѧԺ£¬»·¾³Ñ§Ôºµ÷¼Á²¹Â¼4ÔÂ10ÈÕÒÔǰ¶¼¿ÉÒÔ +3 1Çà¿Æ´ó¡£ 2026-04-09 5/250 2026-04-10 09:58 by ôæôæÒ»ÊéÉú
[¿¼ÑÐ] ±¾¿Æ211 ¹¤¿Æ085400 280·ÖÇóµ÷¼Á ¿É¿çרҵ +3 LZH£¨µÈ´ýµ÷¼ÁÖÐ 2026-04-09 3/150 2026-04-09 21:29 by wutongshun
[¿¼ÑÐ] µ÷¼Á +19 2261744733 2026-04-08 19/950 2026-04-09 19:11 by vgtyfty
[¿¼ÑÐ] 334Çóµ÷¼Á +16 Riot2025 2026-04-08 17/850 2026-04-09 09:28 by wdyheheeh
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û