| ²é¿´: 2249 | »Ø¸´: 9 | ||||
| µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû | ||||
[½»Á÷]
¡¾ÇóÖú¡¿ÇóÖúautodock ÒÑÓÐ5È˲ÎÓë
|
||||
|
¸Õ×°ÁËAUTODOCK£¬ÔÚÔËÐеÄʱºò£¬×ÜÊǹý²»È¥£¬Çë´ó¼Ò½Ì½Ì¡£ ÔÚÔËÐÐrun-run autogridʱ×ܳöÏÖÕâÑùµÄ£º running: autogrid4- p E:\ WINDOWS\braf-21j2.gpf [error 2] ²»ÖªµÀÊÇÄÇ´íÁË£¬ÊÇûװºÃAUTODOCK£¬»¹ÊÇÔËÐÐÓдíÎó¡£ ÕâÊÇbraf-21j2.gpf npts 40 40 40 # num.grid points in xyz gridfld 3IDP1.maps.fld # grid_data_file spacing 0.375 # spacing(A) receptor_types A C HD N OA SA # receptor atom types ligand_types A C F NA Cl OA # ligand atom types receptor 3IDP1.pdbqt # macromolecule gridcenter 16.093 31.902 34.996 # xyz-coordinates or auto smooth 0.5 # store minimum energy w/in rad(A) map 3IDP1.A.map # atom-specific affinity map map 3IDP1.C.map # atom-specific affinity map map 3IDP1.F.map # atom-specific affinity map map 3IDP1.NA.map # atom-specific affinity map map 3IDP1.Cl.map # atom-specific affinity map map 3IDP1.OA.map # atom-specific affinity map elecmap 3IDP1.e.map # electrostatic potential map dsolvmap 3IDP1.d.map # desolvation potential map dielectric -0.1465 # <0, AD4 distance-dep.diel;>0, constant Çë´ó¼Ò¿´¿´£¬ÊÇÄDz»¶Ô¡£ |
» ÊÕ¼±¾ÌûµÄÌÔÌûר¼ÍƼö
·Ö×Ó¶Ô½ÓÎÊÌâ½õ¼¯ |
» ²ÂÄãϲ»¶
281Çóµ÷¼Á£¨0805£©
ÒѾÓÐ8È˻ظ´
»·¾³ÁìÓòÈ«¹úÖØµãʵÑéÊÒÕÐÊÕ²©Ê¿1-2Ãû
ÒѾÓÐ3È˻ظ´
²ÄÁÏר˶306Ó¢Ò»Êý¶þ
ÒѾÓÐ10È˻ظ´
301Çóµ÷¼Á
ÒѾÓÐ6È˻ظ´
Ò»Ö¾Ô¸Ìì½ò´óѧ»¯Ñ§¹¤ÒÕרҵ£¨081702£©315·ÖÇóµ÷¼Á
ÒѾÓÐ7È˻ظ´
302Çóµ÷¼Á
ÒѾÓÐ6È˻ظ´
26²©Ê¿ÉêÇë
ÒѾÓÐ3È˻ظ´
268Çóµ÷¼Á
ÒѾÓÐ3È˻ظ´
311Çóµ÷¼Á
ÒѾÓÐ10È˻ظ´
±»ÎÒÑÔÖУºÐÂÄ£°å²»Ç¿µ÷¸ñʽÁË£¬¼Ùר¼Ò¿ªÊ¼¹Ü¸ñʽÁË
ÒѾÓÐ4È˻ظ´
» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:
¡¾ÇóÖú¡¿Autodock·ÖÎöÇë½Ì
ÒѾÓÐ17È˻ظ´
¡¾ÇóÖú¡¿¸ßÊÖÇóÖú,Autodock4 ×îºóÒ»²½ÎÞ·¨¶Ô½Ó,ŪÁ˼¸Ìì!
ÒѾÓÐ7È˻ظ´
¡¾ÇóÖú¡¿linuxϵͳÔõô°²×°²¦ºÅÉÏÍø£¬ÔõôÔÚlinux°²×°autodock
ÒѾÓÐ7È˻ظ´
¡¾ÇóÖú¡¿autodock¼ÆËãµÄ½á¹ûÖØ¸´ÐÔ²»ºÃ
ÒѾÓÐ9È˻ظ´
¡¾ÇóÖú¡¿ÇóÖúautodock4°²×°xpÏÂÐèÒªºÎÖÖµçÄÔÅäÖÃ
ÒѾÓÐ8È˻ظ´
¡¾ÇóÖú¡¿linuxÏÂautodock°²×°²»³É¹¦
ÒѾÓÐ6È˻ظ´
¡¾ÇóÖú¡¿AUTODOCKµÄÒ»¸öÎÊÌâ
ÒѾÓÐ6È˻ظ´
¡¾ÇóÖú¡¿¹ØÓÚAutodockµÄÎÊÌâ
ÒѾÓÐ11È˻ظ´
¡¾ÇóÖú¡¿¹ØÓÚAutodockÖÐGridÖеÄÎÊÌâ
ÒѾÓÐ9È˻ظ´
chemozhang
ľ³æ (ÕýʽдÊÖ)
- Ä£ÄâEPI: 1
- Ó¦Öú: 3 (Ó×¶ùÔ°)
- ½ð±Ò: 3431.1
- É¢½ð: 462
- ºì»¨: 12
- Ìû×Ó: 615
- ÔÚÏß: 356Сʱ
- ³æºÅ: 282954
- ×¢²á: 2006-10-08
- ÐÔ±ð: GG
- רҵ: Ò©Îïѧ

10Â¥2011-09-05 19:12:22
ÌÆÈÙʤ
ͳæ (³õÈëÎÄ̳)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 176.1
- Ìû×Ó: 17
- ÔÚÏß: 8.3Сʱ
- ³æºÅ: 918565
- ×¢²á: 2009-12-02
- ÐÔ±ð: GG
- רҵ: »ùÒò±í´ïµ÷¿ØÓë±í¹ÛÒÅ´«Ñ§
¡ï ¡ï ¡ï
hwwj(½ð±Ò+1):лл²ÎÓë
ghcacj(½ð±Ò+2):лл 2010-05-25 14:27:06
hwwj(½ð±Ò+5): 2010-05-26 09:40:26
hwwj(½ð±Ò+1):лл²ÎÓë
ghcacj(½ð±Ò+2):лл 2010-05-25 14:27:06
hwwj(½ð±Ò+5): 2010-05-26 09:40:26
2Â¥2010-05-25 12:48:59
3Â¥2010-05-27 10:17:00
ÌÆÈÙʤ
ͳæ (³õÈëÎÄ̳)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 176.1
- Ìû×Ó: 17
- ÔÚÏß: 8.3Сʱ
- ³æºÅ: 918565
- ×¢²á: 2009-12-02
- ÐÔ±ð: GG
- רҵ: »ùÒò±í´ïµ÷¿ØÓë±í¹ÛÒÅ´«Ñ§
¡ï
ghcacj(½ð±Ò+1):лл 2010-05-28 09:40:56
hwwj(½ð±Ò+3): 2010-05-31 21:47:59
ghcacj(½ð±Ò+1):лл 2010-05-28 09:40:56
hwwj(½ð±Ò+3): 2010-05-31 21:47:59
| ºÃÏñÊÇÉÙÉú³ÉÁËÒ»¸ömapÎļþ |
4Â¥2010-05-28 09:20:11













»Ø¸´´ËÂ¥
