±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 495  |  »Ø¸´: 3

ÉúÃüµÄÉ«²Ê

Ìú³æ (ÕýʽдÊÖ)

[ÇóÖú] ÇóÏêϸ·­Òë ÒÑÓÐ1È˲ÎÓë

´óÉñÃÇ£¬°ïÎÒ·­Òëһϰɡ£¡£¡£·Ç³£¸Ðл°¡¡£¡£¡£An explanation can be added to the refinement section of the manuscript that all of the water hydrogen atoms could not be easily located, some were included in idealized geometries that yielded favorable hydrogen-bond interactions.
The hydrogen atoms on O10 (a coordinated water) also needed to be re-idealized, one of them was in an unusual geometry. Certainly these needed to be correct no matter what the final outcome of the lattice water hydrogen atoms.
If the C-alert that there is negative residual density near the water oxygen atoms persists, add a vrf to the effect that the water atoms were located in idealized positions yielding reasonable H-bond interactions, they were not able to be reliably located from a difference Fourier map.
»Ø¸´´ËÂ¥
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

xwnail2003

½û³æ (ÖøÃûдÊÖ)

±¾ÌûÄÚÈݱ»ÆÁ±Î

2Â¥2015-08-09 08:41:51
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÉúÃüµÄÉ«²Ê

Ìú³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
2Â¥: Originally posted by xwnail2003 at 2015-08-09 08:41:51
Õâ¸öÒ²ÒªÇóÖú°¡

Ó¢Óï²»ºÃ°¡¡£¡£Òª²»Äã¸øÎÒ·­ÒëÒ»ÏÂ
3Â¥2015-08-09 22:54:53
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

¼½ÔÆ¿ª

½ð³æ (СÓÐÃûÆø)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
ÉúÃüµÄÉ«²Ê: ½ð±Ò+15, ¡ï¡ï¡ïºÜÓаïÖú 2015-08-10 09:49:21
·­ÒëÄãÓÃÓеÀ»ò½ðɽ²é²é£¬Àí½âÀí½â¾ÍÐС£
²»¹ý£¬ÏÂÃæÕâÆªÎÄÏ׿ÉÄÜ»á¶ÔÄãÓеã°ïÖú¡£

» ±¾Ìû¸½¼þ×ÊÔ´Áбí

  • »¶Ó­¼à¶½ºÍ·´À¡£ºÐ¡Ä¾³æ½öÌṩ½»Á÷ƽ̨£¬²»¶Ô¸ÃÄÚÈݸºÔð¡£
    ±¾ÄÚÈÝÓÉÓû§×ÔÖ÷·¢²¼£¬Èç¹ûÆäÄÚÈÝÉæ¼°µ½ÖªÊ¶²úȨÎÊÌ⣬ÆäÔðÈÎÔÚÓÚÓû§±¾ÈË£¬Èç¶Ô°æÈ¨ÓÐÒìÒ飬ÇëÁªÏµÓÊÏ䣺xiaomuchong@tal.com
  • ¸½¼þ 1 : sk3520.pdf
  • 2015-08-10 09:47:00, 735.66 K
»ý¼«£¬»ý¼«£¬ºÃºÃŬÁ¦£¬ÌìÌìÏòÉÏ¡£¡£¡£
4Â¥2015-08-10 09:47:38
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ ÉúÃüµÄÉ«²Ê µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 332Çóµ÷¼Á +3 Lyy930824@ 2026-03-29 3/150 2026-03-30 08:34 by Iveryant
[¿¼ÑÐ] 290Çóµ÷¼Á +3 dfffsar 2026-03-29 3/150 2026-03-29 22:38 by ëë밢Ī2
[¿¼ÑÐ] Çóµ÷¼Á +4 QiMing7 2026-03-25 5/250 2026-03-29 21:10 by ÌÆãå¶ù
[¿¼ÑÐ] ²ÄÁÏ¿ÆÑ§Ó빤³ÌÇóµ÷¼Á +6 ÉîVËÞÉá°É 2026-03-29 6/300 2026-03-29 20:51 by ÌÆãå¶ù
[¿¼ÑÐ] »·¾³¹¤³Ì 085701£¬267Çóµ÷¼Á +6 minht 2026-03-29 6/300 2026-03-29 16:21 by ѧԱ8dgXkO
[¿¼ÑÐ] һ־Ը˫һÁ÷»úе285·ÖÇóµ÷¼Á +4 ÐÒÔ˵ÄÈýľ 2026-03-29 5/250 2026-03-29 14:49 by Miko19
[¿¼ÑÐ] 343Çóµ÷¼Á +6 °®î¿°í 2026-03-29 6/300 2026-03-29 12:00 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 298Çóµ÷¼Á +4 ÖÖÊ¥´Í 2026-03-28 4/200 2026-03-29 08:42 by q1092522407
[¿¼ÑÐ] 394Çóµ÷¼Á +3 ºÃʶàÄ¥¾²ºò¼ÑÒ 2026-03-26 5/250 2026-03-28 14:24 by ÌÆãå¶ù
[¿¼ÑÐ] 304Çóµ÷¼Á +6 ÂüÊâ2266 2026-03-27 6/300 2026-03-28 14:10 by ÌÆãå¶ù
[¿¼ÑÐ] 299Çóµ÷¼Á +7 àÅàÅàÅàÅ2 2026-03-27 7/350 2026-03-28 13:09 by ÌÆãå¶ù
[¿¼ÑÐ] 286Çóµ÷¼Á +12 PolarBear11 2026-03-26 12/600 2026-03-28 12:14 by zllcz
[¿¼ÑÐ] µ÷¼Á +3 ºÃºÃ¶ÁÊé¡£ 2026-03-28 3/150 2026-03-28 12:04 by Íõ±£½Ü33
[¿¼ÑÐ] Ò»Ö¾Ô¸Äϲý´óѧ324Çóµ÷¼Á +7 hanamiko 2026-03-27 7/350 2026-03-28 09:56 by ÀîÉϰ¶0921
[Óлú½»Á÷] ¸ßθßѹ·´Ó¦ÇóÖú 10+4 chibby 2026-03-25 4/200 2026-03-27 21:08 by BT20230424
[¿¼ÑÐ] 298µ÷¼Á +3 jiyingjie123 2026-03-27 3/150 2026-03-27 11:57 by wxiongid
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +8 Æ¥¿Ëi 2026-03-23 8/400 2026-03-27 08:11 by hypershenger
[¿¼ÑÐ] ×Ü·Ö322ÇóÉúÎïѧ/Éú»¯Óë·Ö×Ó/ÉúÎïÐÅϢѧÏà¹Øµ÷¼Á +5 ÐdzÁuu 2026-03-26 6/300 2026-03-26 19:02 by macy2011
[¿¼ÑÐ] Ò»Ö¾Ô¸ ÄϾ©Óʵç´óѧ 288·Ö ²ÄÁÏ¿¼ÑÐ Çóµ÷¼Á +3 jl0720 2026-03-26 3/150 2026-03-26 13:39 by zzll406
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +3 iwinso 2026-03-23 3/150 2026-03-25 11:29 by greychen00
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û