Znn3bq.jpeg
²é¿´: 1721  |  »Ø¸´: 10

Â̲èQJM

Òø³æ (СÓÐÃûÆø)

[½»Á÷] ¡¾ÇóÖú¡¿ÔÚsybylÀïÈçºÎÅúÁ¿¼ÓÇ⣿ ÒÑÓÐ4È˲ÎÓë

ÓÐÒ»°Ù¶à¸öδ¼ÓÇâ·Ö×Ó£¬ÏÖµ¹Èëµ½SYBYLÀȫ²¿Ã»ÓмÓÇ⣬ÇëÎÊÓÐûÓз½·¨»òÊÇÃüÁî¿ÉÒÔÅúÁ¿¼ÓÇâÄØ£¿

    Çë¶®µÃµÄÈ˲»ÁߴͽÌ~~
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

Sybyl ³£¼ûÎÊÌ⼰ʹÓý̳Ì

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍÆ¼ö: (ÎÒÒ²ÒªÔÚÕâÀïÍÆ¹ã)

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

piscesee

Ìú¸Ëľ³æ (ÕýʽдÊÖ)

Ó¦¸Ã¿ÉÒÔ£¬ÎÒÊÔÊÔ°¡
2Â¥2010-04-30 19:40:38
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

snoopyzhao

ÖÁ×ðľ³æ (Ö°Òµ×÷¼Ò)

¡ï
ghcacj(½ð±Ò+1):лл 2010-05-01 08:44
×Ô¼ºÂ¼¸öºê¾Í¿ÉÒÔ°¡£¬Ò²¾ÍÊÇËùνµÄ spl ½Å±¾£¿
3Â¥2010-04-30 21:17:57
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

tjegg

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

¡ï
ghcacj(½ð±Ò+1):лл 2010-05-02 18:31
ÓÃSPLÓïÑÔ±àд£¬È»ºóÓÃÃüÁîÐжÁÈ¡£¬¼´¿É£¬¾ßÌå²Ù×÷¿´SYBYLÊֲᡣ
³ýÁËÄãµÄÇ×ÈË£¬Ã»ÓÐÈËÓ¦¸Ã¶ÔÄãºÃ£¬¶ÔÄãºÃµÄÈË£¬Ò»¶¨ÒªÕäϧ¡£
4Â¥2010-05-01 23:08:16
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

piscesee

Ìú¸Ëľ³æ (ÕýʽдÊÖ)

¡ï ¡ï ¡ï ¡ï
lei0736(½ð±Ò+4):лл 2010-05-03 10:11
Â̲èQJM(½ð±Ò+2): 2010-05-04 10:15
°ÑÕâЩ·Ö×ÓÏȷŵ½Ò»¸ödatabaseÀï
ÔÚsybylÀïÒÔUpdateµÄ·½Ê½´ò¿ªÕâ¸öÊý¾Ý¿â
ÔÙÔÚÖÕ¶ËÀïÊäÈë
for mol in %database(*)
database get "$mol" M1
fillvalence M1 H
database add "M1" replace
zap M1
endfor
5Â¥2010-05-02 19:47:19
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

Â̲èQJM

Òø³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
Originally posted by piscesee at 2010-05-02 19:47:19:
°ÑÕâЩ·Ö×ÓÏȷŵ½Ò»¸ödatabaseÀï
ÔÚsybylÀïÒÔUpdateµÄ·½Ê½´ò¿ªÕâ¸öÊý¾Ý¿â
ÔÙÔÚÖÕ¶ËÀïÊäÈë
for mol in %database(*)
database get "$mol" M1
fillvalence M1 H
database add "M1" repla ...

¸ÕÊÔ¹ýÒÔÉÏÃüÁget "$mol" M1²»ÄÜʶ±ð£¬is invalid or ambiguious.żÒÔǰͨ³£ÓõͼÊÇͼÐνçÃæ£¬ÔÚÕâ·½ÃæÃ»ÓÐʲô³£Ê¶£¬ÄÜ·ñÏê½²ÏÂ~~
6Â¥2010-05-04 10:15:18
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

piscesee

Ìú¸Ëľ³æ (ÕýʽдÊÖ)

¡ï
Ñ©ÀǹԹÔ(½ð±Ò+1):лл 2010-05-04 12:11
Â̲èQJM(½ð±Ò+1): 2010-05-04 21:25:23
ÒýÓûØÌû:
Originally posted by Â̲èQJM at 2010-05-04 10:15:18:

¸ÕÊÔ¹ýÒÔÉÏÃüÁget "$mol" M1²»ÄÜʶ±ð£¬is invalid or ambiguious.żÒÔǰͨ³£ÓõͼÊÇͼÐνçÃæ£¬ÔÚÕâ·½ÃæÃ»ÓÐʲô³£Ê¶£¬ÄÜ·ñÏê½²ÏÂ~~

ÎÒÊÔÁËÏ¿ÉÒÔÄØ£¬Ã»Ê²Ã´ÎÊÌâ°¡
7Â¥2010-05-04 12:01:51
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

Â̲èQJM

Òø³æ (СÓÐÃûÆø)

¡ï ¡ï ¡ï
Ñ©ÀǹԹÔ(½ð±Ò+2):ÄãµÄÅжÏÓ¦¸ÃÓеÀÀíµÄ ¿Õ¸ñÒ²ÊÇ×Ö·û±äÁ¿ 2010-05-04 22:14:07
Ñ©ÀǹԹÔ(½ð±Ò+1):¹Ø¼üÊÇÒª¸ø¼ÆËã»ú¿ª±ÙÅúÁ¿¼ÓÇâµÄ´æ´¢¿Õ¼ä Ò»°ãÎÞ·¨Ö´ÐеÄÔ­Òò¶¼ÒòΪ¸ñʽ»òµ÷Óò»¶Ô 2010-05-04 22:20:32
ÒýÓûØÌû:
Originally posted by piscesee at 2010-05-04 12:01:51:

ÎÒÊÔÁËÏ¿ÉÒÔÄØ£¬Ã»Ê²Ã´ÎÊÌâ°¡

ÎÒÊÔÁËÏ»¹ÊÇÓÐÎÊÌâÀ࣬ÄÚÈÝÊÇÒ»Ñù£¬¾ÍÊǿոñ²»ÖªµÀÓÐûÓÐÓ°Ïì

ÊDz»ÊÇÒª°Ñ*»»³ÉÊý¾Ý¿âÃûÄØ£¿
8Â¥2010-05-04 21:19:42
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

piscesee

Ìú¸Ëľ³æ (ÕýʽдÊÖ)

¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
lei0736(½ð±Ò+1):лл 2010-05-05 09:05:16
ÒýÓûØÌû:
Originally posted by Â̲èQJM at 2010-05-04 21:19:42:


ÎÒÊÔÁËÏ»¹ÊÇÓÐÎÊÌâÀ࣬ÄÚÈÝÊÇÒ»Ñù£¬¾ÍÊǿոñ²»ÖªµÀÓÐûÓÐÓ°Ïì

ÊDz»ÊÇÒª°Ñ*»»³ÉÊý¾Ý¿âÃûÄØ£¿

ÊDz»ÊÇûÓдò¿ªÊý¾Ý¿â°¡£¬ÏÈÒª´ò¿ªÒ»¸öÊý¾Ý¿â²ÅÐÐ...
9Â¥2010-05-04 23:20:07
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

Â̲èQJM

Òø³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
Originally posted by piscesee at 2010-05-04 23:20:07:

ÊDz»ÊÇûÓдò¿ªÊý¾Ý¿â°¡£¬ÏÈÒª´ò¿ªÒ»¸öÊý¾Ý¿â²ÅÐÐ...

Ì«¸ÐлÁË£¬¿ÉÒÔÁË£¬Ö÷ÒªÊÇÃüÁî¿Õ¸ñ³öÁËÎÊÌ⣬ºÇºÇ£¬Ð»Ð»£¬¶à´Î½â´ðÎÒµÄÒÉ»ó
10Â¥2010-05-05 10:11:47
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ Â̲èQJM µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] µ÷¼Á +12 2261744733 2026-04-08 12/600 2026-04-08 23:55 by GouQ
[¿¼ÑÐ] 270Çóµ÷¼Á +3 031127 2026-04-06 4/200 2026-04-08 21:00 by ÄæË®³Ë·ç
[¿¼ÑÐ] »¯¹¤Ñ§Ë¶ 285Çóµ÷¼Á +26 Wisjxn 2026-04-07 26/1300 2026-04-08 14:42 by screening
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á325·Ö +13 15771691647 2026-04-04 14/700 2026-04-08 10:28 by screening
[¿¼ÑÐ] 388Çóµ÷¼Á +6 ËÄ´¨ÍõÌÎ 2026-04-07 8/400 2026-04-08 00:17 by JourneyLucky
[¿¼ÑÐ] 0854Çóµ÷¼Á +9 ºàÊÏ·¬ÇÑɳ˾ 2026-04-06 10/500 2026-04-07 14:37 by shdgaomin
[¿¼ÑÐ] Ò»Ö¾Ô¸ÎäÀí³µÁ¾×¨Ë¶×Ü·Ö 281 Çóµ÷¼Á +4 Éϰ¶Ñо¿Éú. 2026-04-02 4/200 2026-04-07 09:52 by ¼ÓÓÍÏòδÀ´°¡
[¿¼ÑÐ] 085405Èí¼þ¹¤³Ì301·ÖÇóµ÷¼Á£¬×¨Ë¶¿É¿çרҵ£¬ËÄÁù¼¶Òѹý +3 ¾²¾²ÏëÏë 2026-04-05 3/150 2026-04-06 15:23 by nepu_uu
[¿¼ÑÐ] 0854Çóµ÷¼Á +4 assdll 2026-04-05 4/200 2026-04-06 12:29 by ÖзÉÔº¿Õ¹ÜѧԺÑ
[¿¼ÑÐ] 331Çóµ÷¼Á +8 ÓÚÕ÷yz 2026-04-05 8/400 2026-04-06 00:54 by fmesaito
[¿¼ÑÐ] ¹¤¿Æ08-»úеר˶-Çóµ÷¼Á +3 À×Å··ÉÌß 2026-04-02 3/150 2026-04-05 18:49 by À¶ÔÆË¼Óê
[¿¼ÑÐ] ÊýÒ»Ó¢Ò»274»úеµ÷¼Á +5 ÐÇÔÉÁ÷ϼ 2026-04-04 6/300 2026-04-05 11:38 by arrow8852
[¿¼ÑÐ] 295Çóµ÷¼Á +4 AÄãºÃÑо¿Éú 2026-04-04 5/250 2026-04-04 22:46 by yu221
[¿¼ÑÐ] 278Çóµ÷¼Á +3 ÒÀ¾É£¡ 2026-04-02 4/200 2026-04-04 20:27 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 085601£¬Ò»Ö¾Ô¸Ïôó334¸´ÊÔ±»Ë¢Çóµ÷¼Á +13 ÔøÑöÖ® 2026-04-03 15/750 2026-04-04 20:13 by dongzh2009
[¿¼ÑÐ] 319Çóµ÷¼Á +4 ÐÇÐDz»Õ£ÑÛà¶ 2026-04-03 4/200 2026-04-04 16:25 by ÖзÉÔº¿Õ¹ÜѧԺÑ
[¿¼ÑÐ] 285Çóµ÷¼Á +5 AZMK 2026-04-03 8/400 2026-04-03 18:17 by AZMK
[¿¼ÑÐ] Ò»Ö¾Ô¸»ªÖÐũҵ071010£¬×Ü·Ö320Çóµ÷¼Á +7 À§À§À§À§À¤À¤ 2026-04-02 7/350 2026-04-03 17:26 by Yuena_Wang
[¿¼ÑÐ] ר˶ 351 086100 Ò²ÊÇ¿¼µÄ²Ä¿Æ»ù ±¾¿ÆÒ²ÊDzÄÁÏ +8 202451007219 2026-04-02 8/400 2026-04-03 09:50 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 293Çóµ÷¼Á +4 çæçæÀÖ 2026-04-02 4/200 2026-04-02 20:10 by 6781022
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û