Znn3bq.jpeg
±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1715  |  »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] 285Çóµ÷¼Á +5 ¶ñ·¨´ó¶þµÄÆøÎ¶ß 2026-04-05 8/400 2026-04-07 23:37 by shanqishi
[»ù½ðÉêÇë] ÇëÎʹ²Í¬Í¨Ñ¶ºÍ¹²Í¬Ò»×÷µÄÈϿɶÈÎÊÌâ 10+5 psa1234 2026-04-01 11/550 2026-04-07 16:57 by caiqing
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄϾ©º½¿Õº½Ìì´óѧ ²ÄÁÏÓ뻯¹¤329·ÖÇóµ÷¼Á +9 Mr. Z 2026-04-05 9/450 2026-04-07 15:30 by ¾¡Ë´Ò¢1
[¿¼ÑÐ] ר˶304ÕÒµ÷¼Á£¬Ò»Ïß³ÇÊÐ×îºÃ +3 ÀîlslÀî 2026-04-05 3/150 2026-04-06 12:16 by ffffjjjj
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄϺ½£¬ÊýһӢһѧ˶317Çóµ÷¼Á£¡£¡ +6 Acaciad 2026-04-04 6/300 2026-04-06 12:13 by ¿¼ÑÐѧУÕеãÈË
[¿¼ÑÐ] ¹¤¿Æ370Çóµ÷¼Á +3 äçÐļ弦µ° 2026-04-05 3/150 2026-04-06 10:55 by ÕâÊÇÒ»¸öÎÞÁĵÄê
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤371Çóµ÷¼Á +14 ÅãÁÕ¿´º£ 2026-04-04 15/750 2026-04-06 06:59 by houyaoxu
[¿¼ÑÐ] Ò»Ö¾Ô¸¹þ¶û±õ¹¤Òµ´óѧ085600Ó¢Ò»Êý¶þ337·ÖÇóµ÷¼Á +12 lyz0427 2026-04-03 12/600 2026-04-06 06:37 by houyaoxu
[¿¼ÑÐ] 22408 ×Ü·Ö320£¬Ò»ÆªÂÛÎĶþ×÷£¬Á½¸ö¹úÈý£¬Çóµ÷¼Á +3 Leomulufu 2026-04-04 5/250 2026-04-05 19:04 by chongya
[¿¼ÑÐ] 342Çóµ÷¼Á +3 Liang7111 2026-04-04 5/250 2026-04-04 19:47 by dongzh2009
[ÂÛÎÄͶ¸å] ÇóÎÄÏ× 5+3 ys879651$ 2026-04-02 3/150 2026-04-04 17:22 by bobvan
[¿¼ÑÐ] Ò»Ö¾Ô¸0817»¯Ñ§¹¤³ÌÓë¼¼Êõ£¬Çóµ÷¼Á +24 ÎÒ²»ÊÇÖ»Òò 2026-04-02 28/1400 2026-04-04 15:15 by dongzh2009
[¿¼ÑÐ] 071000ÉúÎïѧµ÷¼Á +8 ÖªÕÑÂû 2026-04-02 8/400 2026-04-03 10:36 by macy2011
[¿¼ÑÐ] 309Çóµ÷¼Á +14 ´ô¹½²»ÊÇ´÷·ò 2026-04-02 14/700 2026-04-03 09:42 by À¶ÔÆË¼Óê
[¿¼ÑÐ] »¯Ñ§070300-×Ü·Ö378-Çóµ÷¼Á +5 ŲÒÎ×ÓµÄÅÝÅÝÌÇ 2026-04-02 5/250 2026-04-02 22:20 by ZXlzxl0425
[¿¼ÑÐ] Ò»Ö¾Ô¸»ªÄÏʦ·¶´óѧ-22408¼ÆËã»ú-292·Ö-Çó»ªÄÏʦ·¶´óѧµ÷¼Á +4 °®¶ÁÊéµÄСöùÓã 2026-04-02 4/200 2026-04-02 18:35 by Çóµ÷¼Ázz
[¿¼ÑÐ] 346Çóµ÷¼Á +5 Ö£³ÏÀÖ 2026-04-02 5/250 2026-04-02 16:38 by SZW_UJN
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©¿Æ¼¼´óѧ085601²ÄÁϹ¤³ÌÓ¢Ò»Êý¶þ³õÊÔ×Ü·Ö335Çóµ÷¼Á +9 Ë«ÂíβƦÀϰå2 2026-04-01 9/450 2026-04-02 12:14 by oooqiao
[¿¼ÑÐ] Çóµ÷¼Á£¬Ò»Ö¾Ô¸ÄϾ©Ê¦·¶´óѧ¼ÆËã»úר˶£¬³õÊÔ373£¬Áù¼¶Í¨¹ý£¬ +3 ¼ÆËã»ú×·ÃÎÈË 2026-04-01 3/150 2026-04-02 07:57 by fxue1114
[¿¼ÑÐ] 285Çóµ÷¼Á +11 AZMK 2026-04-01 11/550 2026-04-01 22:40 by peike
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û