Znn3bq.jpeg
ÉÇÍ·´óѧº£Ñó¿ÆÑ§½ÓÊܵ÷¼Á
²é¿´: 2049  |  »Ø¸´: 10
¡¾½±Àø¡¿ ±¾Ìû±»ÆÀ¼Û4´Î£¬×÷Õßxk6891Ôö¼Ó½ð±Ò 3.25 ¸ö
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

xk6891

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)


[×ÊÔ´] ¡¾Ô­´´¡¿Ò»ÖÖ»ñÈ¡Óлú·Ö×ÓÔ­×ÓλÖõķ½·¨£¨»¶Ó­ÅÄש£©

§³???????????????????????????????????????¦Ë??????

?????§»?§Ý???????????¦Ë???????????????????????????§³??????????????????CCDC?????????????????????????
?????????CCDC??????????????????MS
1???CCDC??MS???????????????????????????????????CCDC?????doc??http://good.gd/718853.htm ???:CCDC????????????MyConQuest?????????§³?????????¦Ë?¨¢????????????????????csd1?????????????????????Python???????pythonw.exe??lib???????csdy.py???????¦Ë??????pythonw.exe?????????§³?????????????????http://iask.sina.com.cn/u/113394 ... ???????????????
2??search????????????file?§Ö?Export Entries as???????—¨?????????cif???,??????????????¡¤??????????C:\Documents and Settings\Administrator\csds_data??
3??????MS?????cif????????????????????MS???OK????????????§Ö???????????adjust hydrogen?????????????file????Export???Export as?
Crystallographic Information????????
CCDC???????????????????????????????????????????????????????????????????¦Ë???????????adjust???????????????????
?????????????????????????????¦Ë???
??????:dnd:

[ Last edited by xk6891 on 2010-11-16 at 09:17 ]
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍÆ¼ö: (ÎÒÒ²ÒªÔÚÕâÀïÍÆ¹ã)

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

xk6891

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)


ÒýÓûØÌû:
Originally posted by luoqiquan at 2010-09-27 22:09:22:

first, i am sorry. but i really think it is a good idea, i give you five stars.

thanks£¬¹þ¹þ¡£
8Â¥2010-09-28 11:17:23
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 11 ¸ö»Ø´ð

kaolasmm

½û³æ (³õÈëÎÄ̳)

±¾ÌûÄÚÈݱ»ÆÁ±Î

2Â¥2010-09-26 19:59:56
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

xk6891

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)


ÒýÓûØÌû:
Originally posted by kaolasmm at 2010-09-26 19:59:56:
ÄãÄÇÓÃGaussViewÂð  Èç¹ûÓÐÕâ¸öÒ²¿ÉÒÔºÍMSÒ»ÆðµÃµ½Ô­×Ó×ø±ê ¶øÇÒ»¹¿ÉÒÔÌí¼ÓÇâÔ­×Ó

ÓУ¬µ«ÊÇgaussviewÒ²ÐèÒª×î³õµÄ¼ü³¤¼ü½Ç£¬¶þÃæ½ÇµÈÊý¾Ý°É£¿ÊDz»ÊÇ£¿ÇóÖ¸µ¼
3Â¥2010-09-27 12:34:36
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

luoqiquan

ľ³æ (ÖøÃûдÊÖ)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶
4Â¥2010-09-27 16:23:23
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
¼òµ¥»Ø¸´
xk689110Â¥
2010-11-25 20:35   »Ø¸´  
ÒýÓûØÌû:
Originally posted by boylc789 at 2010-11-25 19:54:50: ¶÷£¬ÎÒÏÖÔÚÒ²ÔÚÓ㬲»ÖªÂ¥Ö÷ÓõÄÊÇÄĸö°æ±¾µÄ ÎÒÖ÷ÒªÊÇ»­½á¹¹Ê±È·¶¨²»ºÃλÖã¬ÕÒ¸öÄ£°åÔÚÉÏÃæÐ޸ļ´¿É

1.3
¡î ÎÞÐǼ¶ ¡ï Ò»ÐǼ¶ ¡ï¡ï¡ï ÈýÐǼ¶ ¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] »¯Ñ§070300 Çóµ÷¼Á +22 ¹þ¹þ¹þ^_^ 2026-04-12 22/1100 2026-04-14 15:23 by zs92450
[¿¼ÑÐ] 085400µç×ÓÐÅÏ¢Àࣨ´¨´ó¿ØÖƹ¤³Ì£©Çóµ÷¼Á¿É¿çרҵ ÇóÀÏʦÁªÏµ +4 626776879 2026-04-08 4/200 2026-04-14 14:49 by htcscq
[¿¼ÑÐ] 105500ҩѧÇóµ÷¼Á +4 x_skys 2026-04-12 4/200 2026-04-14 13:37 by rndfc
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤329·ÖÇóµ÷¼Á +24 Ò¶zilin 2026-04-13 25/1250 2026-04-14 09:20 by ÊÔ¹ÜÆÆÁÑ
[¿¼ÑÐ] 279Çóµ÷¼Á +11 ÕÅ·¬ÇѲ»³´µ° 2026-04-11 11/550 2026-04-13 22:25 by zhq0425
[¿¼ÑÐ] 22ר˶Çóµ÷¼Á +8 haoyunÉϰ¶ 2026-04-11 10/500 2026-04-13 22:15 by zhq0425
[¿¼ÑÐ] 293Çóµ÷¼Á +16 ÎÒ°®¸ßÊý¸ßÊý°®Î 2026-04-12 18/900 2026-04-13 21:47 by ѧԱJpLReM
[¿¼ÑÐ] Ò»Ö¾Ô¸Î÷±±¹¤Òµ´óѧ289 085602 +33 yangæÃ 2026-04-10 34/1700 2026-04-12 08:11 by Art1977
[¿¼ÑÐ] Çóµ÷¼Á£¬Ò»Ö¾Ô¸´óÁ¬Àí¹¤´óѧ354·Ö +5 ÓêÉùÓàÉú 2026-04-11 6/300 2026-04-11 16:12 by ÓêÉùÓàÉú
[¿¼ÑÐ] 0859£¬337Çóµ÷¼Á +4 ÑÐs. 2026-04-10 4/200 2026-04-11 11:34 by caotw2020
[¿¼ÑÐ] 283Çóµ÷¼Á£¬¹¤¿Æ£¡ +12 ËÕ´òË®7777 2026-04-08 12/600 2026-04-11 10:28 by ÄæË®³Ë·ç
[¿¼ÑÐ] Ò»Ö¾Ô¸985»úеѧ˶380Çóµ÷¼Á +5 ¹Ø¹ØöÂð¯10 2026-04-11 5/250 2026-04-11 10:10 by ÖªÄî¡£A
[¿¼ÑÐ] 297Çóµ÷¼Á +9 Kwgyz 2026-04-09 9/450 2026-04-11 10:09 by zhq0425
[¿¼ÑÐ] 281Çóµ÷¼Á +11 ¾õµÃºÃµÄ°É 2026-04-10 11/550 2026-04-11 09:35 by ÄæË®³Ë·ç
[¿¼ÑÐ] 0858Çóµ÷¼Á 5+5 Gky09300550£¬ 2026-04-10 8/400 2026-04-10 19:13 by chemisry
[¿¼ÑÐ] Ò»Ö¾Ô¸¿ó´ó£¬²ÄÁϹ¤³Ìר˶314·Ö£¬0856¿Éµ÷¶¼¿ÉÒÔ +15 ÎÞи¿É»÷µÄ¾ÞÈË 2026-04-09 15/750 2026-04-10 18:10 by hmn_wj
[¿¼ÑÐ] 266Çóµ÷¼Á +29 ÑôÑôÍÛÈû 2026-04-07 29/1450 2026-04-10 16:20 by ¸ßά´º
[¿¼ÑÐ] »¯Ñ§¹¤³ÌÓë¼¼Êõרҵһ־Ը¹þ¹¤³Ì 291·ÖBÇø ¹ú¼Ò¼¶´ó´´¸ºÔðÈË ÓÐÒ»×÷ÂÛÎÄ +13 Emmy~ 2026-04-09 13/650 2026-04-09 14:47 by onlyÖÜ
[¿¼ÑÐ] 349ѧ¿Æ»¯Ñ§045106Çóµ÷¼Á£¬»¯Ñ§Àà¶¼¿ÉÒÔ +8 ±£ºÃ¶®¶® 2026-04-08 8/400 2026-04-09 14:03 by xulei3024
[¿¼ÑÐ] »úеµ÷¼Á +3 zzzbcb 2026-04-07 3/150 2026-04-07 22:19 by hemengdong
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û