²é¿´: 1723  |  »Ø¸´: 3
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

bbslover

½ð³æ (ÕýʽдÊÖ)

[½»Á÷] ¡¾ÇóÖú¡¿openbabelת2D-µ½-3DÌ«ÂýÁË£¬Ò»¸ö·Ö×Ó´óÔ¼20Ã룡 ÒÑÓÐ2È˲ÎÓë

openbabelת2D-µ½-3DÌ«ÂýÁË£¬Ò»¸ö·Ö×Ó´óÔ¼20Ã룡

ÎÒÊÇÓÃgui½çÃæ×ªµÄ sdfµ½mol2£¬ÔõôÕâôÂý°¡£¿
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍÆ¼ö: (ÎÒÒ²ÒªÔÚÕâÀïÍÆ¹ã)

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

javacfish

½ð³æ (СÓÐÃûÆø)

¡ï ¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
ghcacj(½ð±Ò+2):лл 2010-05-30 18:32:22
openbabelȷʵÓÐÕâÑùµÄÎÊÌ⣬Èç¹ûÎļþ²»¶àµÄ»°£¬Äã¿ÉÒÔÓÃchemofficeÒ»¸ö¸ö×ö¼´¿É¡£

sybylµÄconcord×ö£¬Ó¦¸Ã²»´í¡£¡£

[ Last edited by javacfish on 2010-5-30 at 16:55 ]
4Â¥2010-05-30 16:39:14
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 4 ¸ö»Ø´ð

javacfish

½ð³æ (СÓÐÃûÆø)

¡ï ¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
ghcacj(½ð±Ò+2):лл 2010-05-30 12:44:28
ÄãGUIÉÏÊÇÔõôתµÄ£¬¾ßÌ彨¸öͼ¿´¿´¡£¡£

ÎÒÓõÄÊÇÃüÁî\babel.exe test.sdf -osdf --gen3D result.sdf£¬Óò»ÁË20Ãëѽ
2Â¥2010-05-30 12:15:21
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

bbslover

½ð³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
Originally posted by javacfish at 2010-05-30 12:15:21:
ÄãGUIÉÏÊÇÔõôתµÄ£¬¾ßÌ彨¸öͼ¿´¿´¡£¡£

ÎÒÓõÄÊÇÃüÁî\babel.exe test.sdf -osdf --gen3D result.sdf£¬Óò»ÁË20Ãëѽ



תÍê¶ÁÈësybylÓв»¶ÔµÄµØ·½¡£
3Â¥2010-05-30 16:23:29
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ×Ü·Ö293Çóµ÷¼Á +4 ¼ÓÒ»Ò»¾Å 2026-03-25 4/200 2026-03-25 12:56 by Dyhoer
[¿¼ÑÐ] 284Çóµ÷¼Á +15 Zhao anqi 2026-03-22 15/750 2026-03-25 12:51 by wht0531
[¿¼ÑÐ] ²ÄÁÏѧ˶£¬Çóµ÷¼Á 6+4 ÌǺù«888ll 2026-03-22 9/450 2026-03-25 11:19 by greychen00
[¿¼ÑÐ] 289Çóµ÷¼Á +9 »³èªÎÕè¤l 2026-03-20 9/450 2026-03-25 11:02 by userper
[¿¼ÑÐ] ¿¼Ñе÷¼Á +4 ºôºô£¿~+123456 2026-03-24 4/200 2026-03-24 23:16 by barlinike
[¿¼ÑÐ] 311Çóµ÷¼Á +3 ¶¬Ê®Èý 2026-03-24 3/150 2026-03-24 21:31 by peike
[¿¼ÑÐ] 300·Ö£¬²ÄÁÏ£¬Çóµ÷¼Á£¬Ó¢Ò»Êý¶þ +5 ³¬ÔÞµÄ 2026-03-24 5/250 2026-03-24 21:07 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] 292Çóµ÷¼Á +4 ¶ì¶ì¶ì¶î¶î¶î¶î¶ 2026-03-24 4/200 2026-03-24 16:41 by peike
[²ÄÁϹ¤³Ì] Ò»Ö¾Ô¸C9²ÄÁÏÓ뻯¹¤×¨Òµ×Ü·Ö300Çóµ÷¼Á +4 Âü111 2026-03-24 5/250 2026-03-24 15:44 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] Çóµ÷¼ÁÒ»Ö¾Ô¸Î人Àí¹¤´óѧ²ÄÁϹ¤³Ì£¨085601£© +5 WW.' 2026-03-23 7/350 2026-03-24 14:50 by sprinining
[¿¼ÑÐ] 344Çóµ÷¼Á +3 desto 2026-03-24 3/150 2026-03-24 10:09 by ²«»÷518
[¿¼ÑÐ] 291Çóµ÷¼Á +8 hhhhxn.. 2026-03-23 8/400 2026-03-23 23:15 by peike
[¿¼ÑÐ] ²ÄÁÏ/ũҵרҵ£¬07/08¿ªÍ·¾ù¿É£¬¹ýÏß¾ÍÐÐ +3 ºÇßíŶ»í 2026-03-23 4/200 2026-03-23 22:30 by Íô£¡£¿£¡
[¿¼ÑÐ] Ò»Ö¾Ô¸ÎäÀí²ÄÁϹ¤³Ì348Çóµ÷¼Á +6 £þ^£þ©bº¹ 2026-03-19 9/450 2026-03-23 19:53 by pswait
[¿¼ÑÐ] 276Çóµ÷¼Á +3 YNRYG 2026-03-21 4/200 2026-03-23 08:31 by ×íÔÚ·çÀï
[¿¼ÑÐ] Ò»Ö¾Ô¸¶«»ª´óѧ¿ØÖÆÑ§Ë¶320Çóµ÷¼Á +3 Grand777 2026-03-21 3/150 2026-03-21 19:23 by ¼òÖ®-
[¿¼ÑÐ] Ò»Ö¾Ô¸Éî´ó£¬0703»¯Ñ§£¬×Ü·Ö302£¬Çóµ÷¼Á +4 ÆßÔÂ-ÆßÆß 2026-03-21 4/200 2026-03-21 18:20 by ѧԱ8dgXkO
[¿¼ÑÐ] 332Çóµ÷¼Á +3 ·ï»ËÔº¶¡Õæ 2026-03-20 3/150 2026-03-21 10:27 by luoyongfeng
[¿¼ÑÐ] Ò»Ö¾Ô¸ËÕÖÝ´óѧ²ÄÁÏÇóµ÷¼Á£¬×Ü·Ö315£¨Ó¢Ò»£© +5 sbdksD 2026-03-19 5/250 2026-03-20 22:10 by luoyongfeng
[¿¼ÑÐ] 0856µ÷¼Á£¬ÊÇѧУ¾ÍÈ¥ +8 sllhht 2026-03-19 9/450 2026-03-20 14:25 by ÎÞи¿É»÷111
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û