±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1379  |  »Ø¸´: 8
¡¾½±Àø¡¿ ±¾Ìû±»ÆÀ¼Û5´Î£¬×÷ÕßalwensÔö¼Ó½ð±Ò 5 ¸ö
µ±Ç°Ö÷ÌâÒѾ­´æµµ¡£

alwens

Ìú¸Ëľ³æ (ÕýʽдÊÖ)

ÀÏľ³æ


[×ÊÔ´] ·Ö×ÓÎļþ¸ñʽת»¯Babel (windows°æ±¾£¬V_2.1.1)

¿´µ½¼ÆËã°æÓгæ×ÓÐèÒªÕâ¸öÈí¼þ£¬¹²Ïíһϡ£

Open Babel: The Open Source Chemistry Toolbox
Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas.

Ready-to-use programs, and complete programmer's toolkit
Read, write and convert over 80 chemical file formats
Filter and search molecular files using SMARTS and other methods
Supports molecular modeling, cheminformatics, bioinformatics
Organic chemistry, inorganic chemistry, solid-state materials, nuclear chemistry
Downloaded over 68000 times and used by over 30 related projects
http://www.isload.com.cn/store/k4mvn7fkrqu44/babel.tar/downlaod

[ Last edited by alwens on 2007-12-29 at 15:14 ]
»Ø¸´´ËÂ¥
ÍòÀïϦÑô½õ±³¸ß ·­ÉíÓ̺޶«ÑóС Ì«¹«Ôõµö£¿
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

luai071

ľ³æ (ÖøÃûдÊÖ)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

µÄÈ·Õâ¸öÔÚת»¯½øºÜÓÐÓÃ
2Â¥2007-12-29 14:41:42
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

SZUKkboy

¾èÖú¹ó±ö (ÖøÃûдÊÖ)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

¸çÃÇ£¬£¬¶¥Ä㣬£¬£¬^_^
3Â¥2007-12-29 17:55:31
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

xlliu

Í­³æ (³õÈëÎÄ̳)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

²»À¢È˳Ƽ°Ê±Óê°¡
4Â¥2007-12-30 11:40:30
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

shenghaisi

½ð³æ (ÕýʽдÊÖ)


Ö±½Ó°²×°£¿
5Â¥2008-01-01 01:27:10
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

alwens

Ìú¸Ëľ³æ (ÕýʽдÊÖ)

ÀÏľ³æ


²»Óð²×°Ö±½Ó½âѹ¾Í¿ÉÒÔʹÓã¬ÃüÁîÐиñʽÀàËÆÈçÏ£º
babel -ipdb xxx.pdb -omol2 xxx.mol2
Ö§³Ö³¬¹ý80ÖÖ³£¼û·Ö×Ó¸ñʽ֮¼äµÄ»¥Ïàת»»¡£
ÏêϸÐÅÏ¢²Î¼ûopenbabelµÄ¹Ù·½ÍøÕ¾
ÍòÀïϦÑô½õ±³¸ß ·­ÉíÓ̺޶«ÑóС Ì«¹«Ôõµö£¿
6Â¥2008-01-03 20:38:45
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

SPL

Í­³æ (СÓÐÃûÆø)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

ÄǸöÁ´½ÓÎÒÁ¬µÄÊÇÒ»¸öÆäËûÍøÕ¾¡£¡£¡£¡£lz·¢¸øÎÒÒ»·ÝºÃÂð£¿
shangyuan5000@yahoo.com.cn
ллÀ²£¡
7Â¥2008-07-31 09:59:21
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

SPL

Í­³æ (СÓÐÃûÆø)


Òѽâ¾ö£¬Ð»Ð»
8Â¥2008-07-31 10:47:59
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ alwens µÄÖ÷Ìâ¸üÐÂ
¡î ÎÞÐǼ¶ ¡ï Ò»ÐǼ¶ ¡ï¡ï¡ï ÈýÐǼ¶ ¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©¿Æ¼¼£¬085601×Ü·Ö305Çóµ÷¼Á +9 °ëÉú¹Ï£¡ 2026-04-01 10/500 2026-04-01 23:33 by °ëÉú¹Ï£¡
[¿¼ÑÐ] °²È«¹¤³Ì 285 Çóµ÷¼Á +3 Xinyu56 2026-04-01 4/200 2026-04-01 21:50 by ¾²¾²¾²¾²¾²¾²¾²¾
[¿¼ÑÐ] 0817»¯¹¤Ñ§Ë¶µ÷¼Á +11 ŬÁ¦Éϰ¶ÖУ¡ 2026-03-31 11/550 2026-04-01 20:30 by Àµ´ºÑÞ
[¿¼ÑÐ] ¡¾Çóµ÷¼Á¡¿085601²ÄÁϹ¤³Ìר˶ | ×Ü·Ö272 | +10 ½Å»¬µÄÊØ·¨¹«Ãñ 2026-03-27 10/500 2026-04-01 17:23 by pies112
[¿¼ÑÐ] 294·Ö080500²ÄÁÏ¿ÆÑ§Ó빤³ÌÇóµ÷¼Á +15 ÁøÏª±ß 2026-03-26 16/800 2026-04-01 17:07 by Æß¶È²»ÐÅÈÎ
[¿¼ÑÐ] 314Çóµ÷¼Á +4 ÏªÔÆçæ 2026-03-26 4/200 2026-04-01 17:00 by oooqiao
[¿¼ÑÐ] 086000ÉúÎïÓëÒ½Ò©298µ÷¼ÁÇóÖú +4 ÔªÔªÇàÇà 2026-03-31 6/300 2026-04-01 11:13 by syh9288
[¿¼ÑÐ] ÍÁľ304Çóµ÷¼Á +5 ÍÃͻͻͻ£¬ 2026-03-31 6/300 2026-04-01 09:37 by JourneyLucky
[¿¼ÑÐ] ÍÁľ304Çóµ÷¼Á +5 ¶¥¼¶²Á²Á 2026-03-31 5/250 2026-04-01 08:15 by fdcxdystjk£¤
[¿¼ÑÐ] Ò»Ö¾Ô¸aÇø211£¬085601-307·ÖÇóµ÷¼Á +10 µ³¼ÎºÀ 2026-03-31 23/1150 2026-03-31 18:44 by JourneyLucky
[¿¼ÑÐ] ²ÄÁÏÇóµ÷¼Á Ò»Ö¾Ô¸¹þ¹¤´ó×Ü·Ö298·Ö£¬Ç°Èý¿Æ223·Ö +11 dongfang59 2026-03-27 11/550 2026-03-31 16:51 by Wang200018
[¿¼ÑÐ] 0703»¯Ñ§ +20 ÄÝÄÝninicgb 2026-03-27 20/1000 2026-03-31 13:33 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] Ò»Ö¾Ô¸Õã½­´óѧ¹¤¿Æ¶¯Á¦¹¤³Ì370,ÊýÒ»121,רҵ¿Î135£¬ÏÖÔÚÄÜÈ¥ÄÄÀï +3 080700µ÷¼Á 2026-03-30 4/200 2026-03-31 12:00 by KLMY666
[¿¼ÑÐ] 08¹¤¿Æ£¬295£¬½ÓÊÜ¿çרҵµ÷¼Á +6 lmnlzy 2026-03-30 6/300 2026-03-31 10:04 by cal0306
[¿¼ÑÐ] 085701»·¾³¹¤³ÌÇóµ÷¼Á +11 ¶à¾ÃÉϿΠ2026-03-27 12/600 2026-03-30 21:21 by Ñо¿É®µ¼µ¼
[¿¼ÑÐ] 332Çó92µ÷¼Á +8 ½¶½¶123 2026-03-28 8/400 2026-03-29 10:46 by ÖÜè÷µ¤
[¿¼ÑÐ] 085602 »¯¹¤×¨Ë¶ 338·Ö Çóµ÷¼Á +12 ·³ÕСç÷ 2026-03-27 12/600 2026-03-28 15:41 by L135790
[¿¼ÑÐ] 081200-314 +3 LILIQQ 2026-03-27 4/200 2026-03-28 09:41 by ±£»¤µØÇòÄãÎÒ×öÆ
[¿¼ÑÐ] 0856µ÷¼Á +5 ÇóÇóÈÃÎÒÓÐÊé¶Á° 2026-03-26 6/300 2026-03-27 15:12 by caszguilin
[¿¼ÑÐ] ¿¼Ñе÷¼Á +9 СÀ¯ÐÂ±Ê 2026-03-26 9/450 2026-03-27 11:10 by ²»³Ôô~µÄ؈
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û