| ²é¿´: 1945 | »Ø¸´: 8 | ||
sxmx88½ð³æ (³õÈëÎÄ̳)
|
[ÇóÖú]
ÇóB´íÎó£ºPLAT420ºÍPLAT303 ÔõÑù½â¾ö£¿
|
|
PLAT303_ALERT_2_B Full Occupancy H-Atom H8A with # Connections 3.00 PLAT420_ALERT_2_B D-H Without Acceptor O8 - H8C ... ? PLAT303 Type_2 Test for more than 1 connection to Hydrogen Atoms -------------------------------------------------------------------------------- Hydrogen atoms are generally connected to only one other atom. A hydrogen atom between two oxygen atoms is a special case. Investigate whether this hydrogen atom is better described with a disorder model with two partially occupied sites. A difference map might show a double-well density. PLAT420 Type_2 Test for D-H without acceptor -------------------------------------------------------------------------------- Potential hydrogen bond donors are checked for the presence of suitable acceptors using commonly used (Jeffrey) H-bond criteria. As a general rule there should be an acceptor for each donor. Exceptions are very rare for O-H and more common for -NH and -NH2. A common error is an -OH on a calculated position pointing in the wrong direction. ÇëÎʸ÷λ¸ßÊÖ£¬ÕâÁ½¸ö´íÎóÔõô½â¾ö£¿ [ À´×Ô¿ÆÑмÒ×å ¾§Ìå²ÄÁϼÒ×å ] [ Last edited by sxmx88 on 2012-5-4 at 20:31 ] |
» ²ÂÄãϲ»¶
Î人·ÄÖ¯´óѧ¼¼ÊõÑо¿ÔºÕÐÊÕ»¯Ñ§¡¢ÉúÎï¡¢²ÄÁÏ¡¢·ÄÖ¯¡¢»úеµÈרҵµ÷¼ÁÉú
ÒѾÓÐ0È˻ظ´
̨ÖÝѧԺÓÐÐò¶à¿×²ÄÁÏÍŶӻ¯Ñ§¡¢²ÄÁÏÓ뻯¹¤Ë¶Ê¿ÕÐÉú£¬ÇëËÙÁªÏµ£¡
ÒѾÓÐ0È˻ظ´
ÎÞ»ú»¯Ñ§ÂÛÎÄÈóÉ«/·ÒëÔõôÊÕ·Ñ?
ÒѾÓÐ186È˻ظ´
Ê×¶¼Ê¦·¶´óѧ»¯Ñ§ÏµÌïÑó¿ÎÌâ×éר˶Õе÷¼ÁÉú
ÒѾÓÐ10È˻ظ´
¹ãÖÝ´óѧ´óÍåÇø»·¾³Ñо¿Ôº»·¾³´ó·Ö×Ó²ÄÁÏÑо¿ËùÍõƽɽ½ÌÊÚÍÅ¶Ó 2026ÄêÑо¿ÉúÕÐÉú¼òÕÂ
ÒѾÓÐ0È˻ظ´
Ìì½òÀí¹¤´óѧ
ÒѾÓÐ0È˻ظ´
̨ÖÝѧԺÓÐÐò¶à¿×²ÄÁÏÍŶÓ×îºó³å´Ì£¬Í¬Ñ§ÃDZð´í¹ýŶ£¬ÇëËÙÁªÏµ£¡
ÒѾÓÐ0È˻ظ´
½Î÷¿Æ¼¼Ê¦·¶´óѧÎïÀí»¯Ñ§¿ÎÌâ×é½ÓÊÕµ÷¼ÁÉú£¬Ãû¶î»¹ÓУ¬ËÙÀ´
ÒѾÓÐ0È˻ظ´
» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍÆ¼ö: (ÎÒÒ²ÒªÔÚÕâÀïÍÆ¹ã)
» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:
gambit´ò¿ª³öÏÖ´íÎó£¬×Ô¼ºÌø³ö½ø¶È¿ò£¬²»ÖªµÀÔõô½â¾ö
ÒѾÓÐ3È˻ظ´
Á©Éó¸åÒâ¼û£¬Ò»¸öÖ¸³öÓï·¨´íÎ󣬲»Ìá½ÓÊÕ·ñ£¬ÁíÒ»¸öû¿´¶®£¬¿ÉÒÔÉêÊöÂð
ÒѾÓÐ3È˻ظ´
ÂÝÐý²¨²¨Í· ³ÌÐòµ÷ÊÔ ³ýÁã´íÎó
ÒѾÓÐ12È˻ظ´
AÀà´íÎó.PLAT213½â¾ö°ì·¨
ÒѾÓÐ6È˻ظ´
IE ×ÜÊǵ¯³öÕâ¸ö·³È˵Ľű¾´íÎó
ÒѾÓÐ5È˻ظ´
Èí½ºÄÒ³ÉÆ·Â©ÓÍÇóÖú
ÒѾÓÐ3È˻ظ´
ÓлúʵÑé²Ù×÷µÄÊõÓÇó½âÊÍ
ÒѾÓÐ9È˻ظ´
¡¾ÇóÖú¡¿µâÁ¿·¨²âÈܽâÑõµÄһЩÎÊÌâ
ÒѾÓÐ7È˻ظ´
¡¾ÇóÖú¡¿´ó¿×Îü¸½Ê÷֬װÖùºó»¹Ã»ÉÏÑùÁ÷ËپͺÜÂýÁË¡¡Ôõô½â¾ö
ÒѾÓÐ16È˻ظ´
¡¾ÇóÖú/½»Á÷¡¿millipore³¬Â˹ܳ¬ÂË
ÒѾÓÐ8È˻ظ´
sxmx88
½ð³æ (³õÈëÎÄ̳)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 709.8
- ºì»¨: 1
- Ìû×Ó: 46
- ÔÚÏß: 41.8Сʱ
- ³æºÅ: 1173389
- ×¢²á: 2010-12-20
- ÐÔ±ð: MM
- רҵ: ÉúÎïÎÞ»ú»¯Ñ§
2Â¥2012-05-04 20:36:28
sdujjt
ľ³æ (ÕýʽдÊÖ)
- Ó¦Öú: 140 (¸ßÖÐÉú)
- ½ð±Ò: 3338.4
- É¢½ð: 1
- ºì»¨: 3
- Ìû×Ó: 367
- ÔÚÏß: 75.8Сʱ
- ³æºÅ: 896139
- ×¢²á: 2009-11-07
- ÐÔ±ð: GG
- רҵ: Åäλ»¯Ñ§
¡¾´ð°¸¡¿Ó¦Öú»ØÌû
¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
linhua0402313: ½ð±Ò+1, ¸Ðл»ØÌû½»Á÷£¡ 2012-05-05 10:47:22
sxmx88: ½ð±Ò+5, ¡ï¡ï¡ïºÜÓаïÖú 2012-05-06 21:01:20
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
linhua0402313: ½ð±Ò+1, ¸Ðл»ØÌû½»Á÷£¡ 2012-05-05 10:47:22
sxmx88: ½ð±Ò+5, ¡ï¡ï¡ïºÜÓаïÖú 2012-05-06 21:01:20
|
1£¬H8aÖØÐ¼ÓÇâ¡£ 2£¬H8CÓÃÀíÂÛ¼ÓÇ⣬¿ÉÄÜ·½Ê½¼Ó´í£¬hfix nn |

3Â¥2012-05-05 10:33:30
xiaoshan1988
ľ³æ (СÓÐÃûÆø)
- Ó¦Öú: 32 (СѧÉú)
- ½ð±Ò: 3484.9
- É¢½ð: 1
- Ìû×Ó: 292
- ÔÚÏß: 44.6Сʱ
- ³æºÅ: 1179583
- ×¢²á: 2010-12-29
- ÐÔ±ð: GG
- רҵ: ½ðÊôÓлú»¯Ñ§
4Â¥2012-05-05 11:01:37
r2rr2r
½ð³æ (ÕýʽдÊÖ)
- Ó¦Öú: 85 (³õÖÐÉú)
- ½ð±Ò: 251.1
- É¢½ð: 666
- ºì»¨: 6
- Ìû×Ó: 347
- ÔÚÏß: 126.9Сʱ
- ³æºÅ: 1694953
- ×¢²á: 2012-03-16
- רҵ: Åäλ»¯Ñ§
5Â¥2012-05-05 11:36:45
sxmx88
½ð³æ (³õÈëÎÄ̳)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 709.8
- ºì»¨: 1
- Ìû×Ó: 46
- ÔÚÏß: 41.8Сʱ
- ³æºÅ: 1173389
- ×¢²á: 2010-12-20
- ÐÔ±ð: MM
- רҵ: ÉúÎïÎÞ»ú»¯Ñ§
6Â¥2012-05-06 21:04:22
sxmx88
½ð³æ (³õÈëÎÄ̳)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 709.8
- ºì»¨: 1
- Ìû×Ó: 46
- ÔÚÏß: 41.8Сʱ
- ³æºÅ: 1173389
- ×¢²á: 2010-12-20
- ÐÔ±ð: MM
- רҵ: ÉúÎïÎÞ»ú»¯Ñ§
7Â¥2012-05-06 21:07:12
sxmx88
½ð³æ (³õÈëÎÄ̳)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 709.8
- ºì»¨: 1
- Ìû×Ó: 46
- ÔÚÏß: 41.8Сʱ
- ³æºÅ: 1173389
- ×¢²á: 2010-12-20
- ÐÔ±ð: MM
- רҵ: ÉúÎïÎÞ»ú»¯Ñ§
8Â¥2012-05-06 21:11:01
sxmx88
½ð³æ (³õÈëÎÄ̳)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 709.8
- ºì»¨: 1
- Ìû×Ó: 46
- ÔÚÏß: 41.8Сʱ
- ³æºÅ: 1173389
- ×¢²á: 2010-12-20
- ÐÔ±ð: MM
- רҵ: ÉúÎïÎÞ»ú»¯Ñ§
9Â¥2012-05-06 21:11:41














»Ø¸´´ËÂ¥