²é¿´: 1169  |  »Ø¸´: 3

xufund

ÖÁ×ðľ³æ (ÖªÃû×÷¼Ò)

[½»Á÷] ¡¾ÇóÖú¡¿ADT,VINAºÍPyRx°²×°ÎÊÌâ ÒÑÓÐ3È˲ÎÓë

1.ÏȰ²×°µÄADT£¬·ÅÔÚÁíÍâ/home/wx/Ŀ¼Ï£¬Æô¶¯Ã»ÎÊÌ⡣Ȼºó°´ÕÕVINAµÄ°²×°ËµÃ÷£¬ÔÚÖն˰²×°VINA£¬
./autodock_vina_1_1_1_linux_x86/bin/vina --help
Ìø³öÒ»¶Ñ˵Ã÷ÊéËÆµÄ¶«Î÷£¬µ«Ã»Óб¨´í¡£Ë­ÖªÔÙÆô¶¯ADT¾ÍÎÞ·¨´ò¿ªÁË¡£ÏµÍ³Ê²Ã´·´Ó¦¶¼Ã»ÓС£
2.°´ÕÕÍøÕ¾ËµÃ÷°²×°ÁËPyRx£¬ÓëADTÒ»Ñù·ÅÔÚÁíÍâ/home/wx/Ŀ¼Ï£¬µ«ÊÇÔÚÆô¶¯µÄʱºò±¨´í£º
WARNING|2011-01-09 21:54:20,418|Error importing matplotlibCanvas: '/home/wx' is not a writable dir; you must set /home/wx/.matplotlib to be a writable dir.  You can also set environment variable MPLCONFIGDIR to any writable directory where you want matplotlib data stored
Çë¸ßÊÖ°ïæ½â¾ö¡£Ð»Ð»£¡
ÎÒµÄϵͳÊÇubuntu10.10,32λϵͳ
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

zhang360

гæ (ÕýʽдÊÖ)

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
PyRxÊÇʲô¶«Î÷°¡
2Â¥2016-07-10 17:45:31
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

pymol

¾èÖú¹ó±ö (ÕýʽдÊÖ)


¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÒýÓûØÌû:
2Â¥: Originally posted by zhang360 at 2016-07-10 17:45:31
PyRxÊÇʲô¶«Î÷°¡

ºÍautodock Èí¼þÀàËÆ£¬¿ÉÒÔÓÃÓÚÒ©ÎïÐéÄâɸѡµÄÈí¼þ
3Â¥2016-07-11 16:26:11
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÎÞµÐ˧³¬

Í­³æ (³õÈëÎÄ̳)

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÒýÓûØÌû:
2Â¥: Originally posted by zhang360 at 2016-07-10 17:45:31
PyRxÊÇʲô¶«Î÷°¡

ÊDz»ÊÇÎÒÃÇÓõÄpyton2.5Ö®ÀàµÄ

·¢×ÔСľ³æAndroid¿Í»§¶Ë
4Â¥2016-07-18 12:14:58
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ xufund µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤¿¼Ñе÷¼Á +10 ‹üÈA 2026-03-22 10/500 2026-03-26 15:40 by zzll406
[¿¼ÑÐ] ¿¼Ñе÷¼Á +7 ºôºô£¿~+123456 2026-03-24 7/350 2026-03-26 15:24 by ССÂóƬ
[¿¼ÑÐ] 274Çóµ÷¼Á +13 ¹Ë¾ÅóÏҪǫÐé 2026-03-24 19/950 2026-03-26 13:30 by ССÂóƬ
[¿¼ÑÐ] ѰÕÒµ÷¼Á +5 ¾óǿâ? 2026-03-21 8/400 2026-03-26 13:25 by 0906ljy
[¿¼ÑÐ] 312Çóµ÷¼Á +5 Éϰ¶°ÉZJY 2026-03-22 8/400 2026-03-26 13:12 by ¹«èªåÐÒ£
[¿¼ÑÐ] 263Çóµ÷¼Á +6 yqdszhdap£­ 2026-03-22 10/500 2026-03-26 13:11 by ¹«èªåÐÒ£
[¿¼ÑÐ] 291 Çóµ÷¼Á +7 »¯¹¤2026½ì±ÏÒµÉ 2026-03-21 8/400 2026-03-26 11:25 by AlenQIN.
[¿¼ÑÐ] Ò»Ö¾Ô¸ÖÐÄÏ´óѧ»¯Ñ§Ñ§Ë¶0703×Ü·Ö337Çóµ÷¼Á +7 niko- 2026-03-22 7/350 2026-03-25 20:14 by qingfeng258
[¿¼ÑÐ] ÕÐ08¿¼Êýѧ +8 laoshidan 2026-03-20 17/850 2026-03-25 17:52 by Ò»¸öºìÌ«Ñô
[¿¼ÑÐ] 282Çóµ÷¼Á +3 wcq131415 2026-03-24 3/150 2026-03-25 12:16 by userper
[¿¼ÑÐ] ¿¼Ñл¯Ñ§308·ÖÇóµ÷¼Á +10 ÄãºÃÃ÷ÌìÄãºÃ 2026-03-23 11/550 2026-03-25 10:23 by userper
[¿¼ÑÐ] »¯¹¤×¨Ë¶Çóµ÷¼Á +3 questionÍì·ç 2026-03-24 3/150 2026-03-24 18:48 by jhhcooi
[¿¼ÑÐ] Çóµ÷¼Á +6 ÑÐÑУ¬½Óµç»° 2026-03-24 7/350 2026-03-24 17:01 by barlinike
[¿¼²©] 26É격×Ô¼ö +3 whh869393 2026-03-24 3/150 2026-03-24 09:55 by 21018060
[¿¼ÑÐ] 336»¯¹¤µ÷¼Á +4 Íõ´ó̹1 2026-03-23 5/250 2026-03-23 18:32 by allen-yin
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤085600£¬×Ü·Ö304£¬±¾¿ÆÓÐÁ½Æªsci²ÎÓ룬Çóµ÷¼Á +4 ÐÒÔ˵Ľ´½´ 2026-03-22 5/250 2026-03-22 20:15 by edmund7
[¿¼ÑÐ] 303Çóµ÷¼Á +5 °²ÒäÁé 2026-03-22 6/300 2026-03-22 12:46 by ËØÑÕÇã³Ç1988
[¿¼ÑÐ] Ò»Ö¾Ô¸¶«»ª´óѧ¿ØÖÆÑ§Ë¶320Çóµ÷¼Á +3 Grand777 2026-03-21 3/150 2026-03-21 19:23 by ¼òÖ®-
[¿¼ÑÐ] Ò»Ö¾Ô¸ÖØÇì´óѧ085700×ÊÔ´Óë»·¾³×Ü·Ö308Çóµ÷¼Á +7 īīĮ 2026-03-20 7/350 2026-03-21 16:36 by barlinike
[¿¼ÑÐ] 0805²ÄÁÏ320Çóµ÷¼Á +3 ÉÎïÓï 2026-03-20 3/150 2026-03-21 15:46 by Î޼ʵIJÝÔ­
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û