²é¿´: 2262  |  »Ø¸´: 7
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

panger

½ð³æ (СÓÐÃûÆø)

[ÇóÖú] VMD×÷ͼʱµÄÎÊÌâ ÒÑÓÐ1È˲ÎÓë

ÓÃMultiwfn×ö¹ýÍØÆËѧ·ÖÎöÒԺ󣬵¼³ö°°µãºÍ¼ü¾¶µÄpdbÎļþ£¬ÔÚ´¦Àí°°µãµÄÑÕɫʱVDMµÄGraphics-RepresentationÀïÃæµÄSelected AtomsÊäÈëname CΪʲôѡÔñµÄ½á¹ûÊÇÈ«²¿Ô­×Ó£¿ÄѵÀVDMÖ»ÄÜÇø±ð²»Í¬ÀàÐ͵ݰµã£¿²»ÄÜÇø·ÖÔ­×Ó£¿ÎÒ×öµÄÊÇÑÇÏõËá¼×õ¥£¬²»Í¬Ô­×ÓÔõôѡÔñ£¿¼ü°°µãµÄÑÕÉ«ÓÖÔõôѡÔñ£¿Íû¸ßÊÖ½â´ð£¬Ð»Ð»¡£
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

Awcse

гæ (СÓÐÃûÆø)

ÒýÓûØÌû:
2Â¥: Originally posted by sobereva at 2014-08-25 18:41:20
ÏÈÈ·ÈÏÄãÒѾ­ÕÒ³öÁ˸÷ÖÖÀàÐ͵ÄÁÙ½çµã£¬²¢ÇÒÔØÈëµ½VMDÀïµÄÊÇMultiwfnÊä³öµÄCPs.pdb¡£
CPs.pdbÀC/N/O/F·Ö±ð¶ÔÓ¦(3,-3)/(3,-1)/(3,+1)/(3,+3)ÐÍÁÙ½çµã¡£Òò´ËÄãÒªÏÔʾ±ÈÈç(3,-1)£¬selected atomsÀï¾ÍÊäÈëname C£¬Èç ...

ÄúºÃ¿´ÄúʹÓÃVMDºÜÊìϤ£¬ÎÒÏÖÔÚÏë¼ÆËãRMSDµ«ÊÇÒ»Ö±ÌáʾûÓÐÑ¡¶¨Ô­×ÓÊÇÉñôԭÒò£¿
8Â¥2015-12-24 09:45:47
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 8 ¸ö»Ø´ð

sobereva

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)

±¾ÈËÒÑÓÀ¾ÃÀ뿪Сľ³æ


¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
zhou2009: ½ð±Ò+5 2014-08-25 20:01:19
panger: ½ð±Ò+5, ¡ï¡ï¡ï¡ï¡ï×î¼Ñ´ð°¸ 2014-08-25 22:59:11
ÏÈÈ·ÈÏÄãÒѾ­ÕÒ³öÁ˸÷ÖÖÀàÐ͵ÄÁÙ½çµã£¬²¢ÇÒÔØÈëµ½VMDÀïµÄÊÇMultiwfnÊä³öµÄCPs.pdb¡£
CPs.pdbÀC/N/O/F·Ö±ð¶ÔÓ¦(3,-3)/(3,-1)/(3,+1)/(3,+3)ÐÍÁÙ½çµã¡£Òò´ËÄãÒªÏÔʾ±ÈÈç(3,-1)£¬selected atomsÀï¾ÍÊäÈëname C£¬Èç¹ûÒªÏÔʾ(3,+3)£¬¾ÍÊäÈëname F
ÈôÐÞ¸ÄÁÙ½çµãµÄÑÕÉ«£¬°ÑColoring methodÉèΪColor ID£¬Ñ¡ÔñÏàÓ¦µÄÑÕÉ«¼´¿É

´ËÌûÓÐÏêϸ˵Ã÷£¬½¨ÒéÄãÏÈ×ö×öÎÄÖеÄÀý×Ó
Multiwfn½áºÏVMD»æÖÆAIMÍØÆË·ÖÎöͼ
http://hi.baidu.com/sobereva/item/40c03f072667a931a3332a8e
2Â¥2014-08-25 18:41:20
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

panger

½ð³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
2Â¥: Originally posted by sobereva at 2014-08-25 18:41:20
ÏÈÈ·ÈÏÄãÒѾ­ÕÒ³öÁ˸÷ÖÖÀàÐ͵ÄÁÙ½çµã£¬²¢ÇÒÔØÈëµ½VMDÀïµÄÊÇMultiwfnÊä³öµÄCPs.pdb¡£
CPs.pdbÀC/N/O/F·Ö±ð¶ÔÓ¦(3,-3)/(3,-1)/(3,+1)/(3,+3)ÐÍÁÙ½çµã¡£Òò´ËÄãÒªÏÔʾ±ÈÈç(3,-1)£¬selected atomsÀï¾ÍÊäÈëname C£¬Èç ...

лл£¬ÎÒÆäʵÒѾ­×ö¹ýÄúдµÄÀý×ÓÁË¡£ÎÒÔÙÊÔһϡ£
3Â¥2014-08-25 22:59:59
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

panger

½ð³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
2Â¥: Originally posted by sobereva at 2014-08-25 18:41:20
ÏÈÈ·ÈÏÄãÒѾ­ÕÒ³öÁ˸÷ÖÖÀàÐ͵ÄÁÙ½çµã£¬²¢ÇÒÔØÈëµ½VMDÀïµÄÊÇMultiwfnÊä³öµÄCPs.pdb¡£
CPs.pdbÀC/N/O/F·Ö±ð¶ÔÓ¦(3,-3)/(3,-1)/(3,+1)/(3,+3)ÐÍÁÙ½çµã¡£Òò´ËÄãÒªÏÔʾ±ÈÈç(3,-1)£¬selected atomsÀï¾ÍÊäÈëname C£¬Èç ...

ÁíÍ⣬ÔÚÄúµÄÀý×ÓÖÐÔø¾­Ìáµ½µÄ¡°Ì¼/µª/Ñõ/·ú·Ö±ð¶ÔÓ¦(3,-3)/(3,-1)/(3,+1)/(3,+3)¡±¡£ÎªÊ²Ã´ÎÒ¿´µ½µÄÖ»ÊǸ÷ÖÖÁÙ½çµãµÄÊýÄ¿£¬²¢Ã»ÓÐÓë¸÷ÖÖÔªËØÏà¶ÔÓ¦£¿ÓÉÓÚÊǸոսӴ¥ÍØÆËѧ·ÖÎö£¬ÓÐЩÎÊÌâ²¢²»ÊǺÜÃ÷°×£¬(3,-3)Ò»°ã¶ÔÓ¦µÄ²»ÊÇÔ­×ÓºËÂ𣿶ø(3,-1)¶ÔÓ¦µÄÊǼü°°µã£¬(3,+1)/(3,+3)²»ÊÇ»·°°µãºÍÁý°°µãÖ®ÀàµÄÂð£¿ÎªÊ²Ã´¶ÔÓ¦µÄÊÇÔªËØÄØ£¿ÊµÔÚÊÇÓеãÃÔºý£¬Ï£ÍûÂé·³Äú°ïÎÒ½²½²£¬Ð»Ð»¡£
4Â¥2014-08-25 23:20:48
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸»ªÖÐũҵ071010£¬×Ü·Ö320Çóµ÷¼Á +5 À§À§À§À§À¤À¤ 2026-03-20 6/300 2026-03-22 17:41 by hxsm
[¿¼ÑÐ] 289Çóµ÷¼Á +7 »³èªÎÕè¤l 2026-03-20 7/350 2026-03-22 15:57 by ColorlessPI
[¿¼ÑÐ] 305·ÖÇóµ÷¼Á£¨Ê³Æ·¹¤³Ì£© +4 Sxy112 2026-03-21 6/300 2026-03-22 15:26 by ÎÞи¿É»÷111
[¿¼ÑÐ] Çóµ÷¼Á +5 Zhangbod 2026-03-21 7/350 2026-03-22 13:13 by Zhangbod
[¿¼ÑÐ] 333Çóµ÷¼Á +5 87639 2026-03-21 7/350 2026-03-21 19:31 by ColorlessPI
[¿¼ÑÐ] 297Çóµ÷¼Á +3 ϲ»¶»¹ÊDz»¸ÊÐÄ 2026-03-20 3/150 2026-03-21 18:33 by ѧԱ8dgXkO
[¿¼ÑÐ] ¡¾¿¼Ñе÷¼Á¡¿»¯Ñ§×¨Òµ 281·Ö£¬Ò»Ö¾Ô¸ËÄ´¨´óѧ£¬³ÏÐÄÇóµ÷¼Á +11 ³Ô³Ô³Ô²ÅÓÐÒâÒå 2026-03-19 11/550 2026-03-21 18:23 by ѧԱ8dgXkO
[¿¼ÑÐ] ²ÄÁÏѧ˶333Çóµ÷¼Á +3 ±±µÀÏï 2026-03-18 3/150 2026-03-21 18:17 by ѧԱ8dgXkO
[¿¼ÑÐ] 279Çóµ÷¼Á +5 ºìÒÂÒþ¹Ù 2026-03-21 5/250 2026-03-21 14:59 by lature00
[¿¼ÑÐ] 070300»¯Ñ§319Çóµ÷¼Á +7 ½õÀð0909 2026-03-17 7/350 2026-03-21 03:46 by JourneyLucky
[¿¼ÑÐ] 304Çóµ÷¼Á +6 ÂüÊâ2266 2026-03-18 6/300 2026-03-21 00:32 by JourneyLucky
[¿¼ÑÐ] 321Çóµ÷¼Á +9 ºÎÈó²É123 2026-03-18 11/550 2026-03-20 23:19 by JourneyLucky
[¿¼ÑÐ] 295²ÄÁÏÇóµ÷¼Á£¬Ò»Ö¾Ô¸Î人Àí¹¤085601ר˶ +5 Charlieyq 2026-03-19 5/250 2026-03-20 20:35 by JourneyLucky
[¿¼ÑÐ] Ò»Ö¾Ô¸ ÄϾ©º½¿Õº½Ìì´óѧ´óѧ £¬080500²ÄÁÏ¿ÆÑ§Ó빤³Ìѧ˶ +5 @taotao 2026-03-20 5/250 2026-03-20 20:16 by JourneyLucky
[¿¼ÑÐ] 353Çóµ÷¼Á +3 À­¹³²»Ðí±ä 2026-03-20 3/150 2026-03-20 19:56 by JourneyLucky
[ÂÛÎÄͶ¸å] ÉêÇë»Ø¸åÑÓÆÚÒ»¸öÔ£¬±à¼­Í¬ÒâÁË¡£µ«ÏµÍ³ÉϵÄʱ¼äû±ä£¬¸ø±à¼­ÓÖдÓʼþÁË£¬Ã»»Ø¸´ 10+3 wangf9518 2026-03-17 4/200 2026-03-19 23:55 by babero
[¿¼ÑÐ] 320Çóµ÷¼Á0856 +3 ²»ÏëÆðÃû×Ö112 2026-03-19 3/150 2026-03-19 22:53 by ѧԱ8dgXkO
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á +4 18889395102 2026-03-18 4/200 2026-03-19 16:13 by 30660438
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤µ÷¼Á 324·Ö +10 llllkkkhh 2026-03-18 12/600 2026-03-19 14:33 by llllkkkhh
[¿¼ÑÐ] 334Çóµ÷¼Á +3 Ö¾´æ¸ßÔ¶ÒâÔÚ»úÐ 2026-03-16 3/150 2026-03-18 08:34 by lm4875102
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û