Znn3bq.jpeg
²é¿´: 725  |  »Ø¸´: 2

muyunlvyi

½ð³æ (СÓÐÃûÆø)

[ÇóÖú] ÇóÖú£ºxplorËã³öµÄ½á¹¹ÈçºÎÆÀ¼Û£¬ÈçºÎµÃµ½ÒÑËã³ö½á¹¹µÄrmsdÖµ£¿

xplorËã³öµÄ½á¹¹ÈçºÎÆÀ¼Û£¬ÈçºÎµÃµ½ÒÑËã³ö½á¹¹µÄrmsdÖµ£¿
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

quarter123

гæ (³õÈëÎÄ̳)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

ÄãºÃ£¬rmsd ÔÚ¼ÆËãÈí¼þ¿ÉÒÔ¿´£¬ÎÒÒ»°ãÔڽṹÊÓͼÈí¼þ¿´£¬±ÈÈçmolmol£¬
2Â¥2013-03-12 19:25:58
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

koalabear8655

Ìú³æ (³õÈëÎÄ̳)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï
ÔÂÖ»À¶: ½ð±Ò+3, ¸Ðлָµ¼£¡ 2013-11-26 11:25:41
Èç¹ûÊDZȽÏÉٵĽṹ£¬¿ÉÒÔÓÃÆäËüÈí¼þÀ´¿´£¬£Ö£Í£Ä°¡pymolÓ¦¸Ã¶¼¿ÉÒÔ¡£
Èç¹ûÊDZȽ϶࣬»¹¿ÉÒÔÖ±½ÓÓÃxplorÊäÈërmsd£¬Ïêϸ·½·¨¿ÉÒԲο¼
xplor-nih-2.33/eginput/gb1_rdc/anneal.pyÖеÄд·¨£¬ÎÒ¼òµ¥Ìù³öÀ´ÆäÖбȽϹؼüµÄ²¿·Ö£¬ÈçÏ£º
ÏÂÃæÕâ¶ÎÄã¿´×¢ÊÍÒ²Ó¦¸ÃÇå³þ£¬¾ÍÊǼÆËãºÍ²Î¿¼½á¹¹Ö®¼äµÄrmsd¡£

# compare atomic Cartesian rmsd with a reference structure
#  backbone and heavy atom RMSDs will be printed in the output
#  structure files
#
from posDiffPotTools import create_PosDiffPot
refRMSD = create_PosDiffPot("refRMSD","name CA or name C or name N",
                            pdbFile='g_xray.pdb',
                            cmpSel="not name H*"

ÕâÒ»¾äÊÇÔÚÎļþµÄ×îºó£¬ÓÃÀ´¸æËßxplorÊä³örmsdµÄ¡£
averageCrossTerms=refRMSD,
3Â¥2013-11-26 11:00:01
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ muyunlvyi µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ¿ÒÇëÓÐѧУÊÕÁô +7 ¿Â»´È» 2026-04-12 7/350 2026-04-16 22:50 by cfdbai
[¿¼ÑÐ] 300Çóµ÷¼Á +11 ³Èa777 2026-04-15 11/550 2026-04-16 22:43 by cfdbai
[¿¼ÑÐ] 22ר˶Çóµ÷¼Á +10 haoyunÉϰ¶ 2026-04-11 12/600 2026-04-16 22:21 by Öí»á·É
[¿¼ÑÐ] »¯Ñ§070300 Çóµ÷¼Á +28 ¹þ¹þ¹þ^_^ 2026-04-12 28/1400 2026-04-16 21:36 by ´óÁ¦Ë®ÊÖÁ¦´óÎÞÇ
[¿¼ÑÐ] 22408 312Çóµ÷¼Á +23 ÃÅ·ÃþÃþ 2026-04-14 25/1250 2026-04-16 21:21 by Art1977
[¿¼ÑÐ] Ò»Ö¾Ô¸»¦9£¬ÉúÎïѧ326Çóµ÷¼Á +9 Áõīī 2026-04-15 9/450 2026-04-16 17:14 by ´Þ´Þ´Þcccc
[¿¼ÑÐ] 297£¬¹¤¿Æµ÷¼Á?ºÓÄÏũҵ´óѧ±¾¿Æ +14 ºÓÄÏũҵ´óѧ-ÄÜ 2026-04-14 14/700 2026-04-16 14:41 by dingyanbo1
[¿¼ÑÐ] ҩѧר˶µ÷¼Á +9 ? һ·Éú?»¨? 2026-04-10 11/550 2026-04-16 10:49 by noqvsozv
[¿¼ÑÐ] Çóµ÷¼Á +11 СÄô°®Ñ§Ï° 2026-04-11 15/750 2026-04-15 21:57 by noqvsozv
[¿¼ÑÐ] 297£¬¹¤¿Æµ÷¼Á? +10 ºÓÄÏũҵ´óѧ-ÄÜ 2026-04-14 10/500 2026-04-15 21:50 by noqvsozv
[¿¼ÑÐ] 085404 22408 309·ÖÇóµ÷¼Á +9 lzmk 2026-04-14 10/500 2026-04-15 20:02 by ѧԱJpLReM
[¿¼ÑÐ] 0854µ÷¼Á +13 ³¤¹­°Á 2026-04-12 16/800 2026-04-15 13:45 by fenglj492
[¿¼ÑÐ] 310Çóµ÷¼Á +16 666ÕæºÃ 2026-04-11 18/900 2026-04-15 13:28 by ºÚ¿Æ¼¼¿óÒµ
[¿¼ÑÐ] 297¹¤¿Æµ÷¼Á? +14 ºÓÄÏũҵ´óѧ-ÄÜ 2026-04-13 15/750 2026-04-15 13:25 by ºÚ¿Æ¼¼¿óÒµ
[¿¼ÑÐ] Ò»Ö¾Ô¸Õã´óÉúÎï325·ÖÇóµ÷¼Á +9 zysheng 2026-04-12 9/450 2026-04-12 22:31 by yuyin1233
[¿¼ÑÐ] 344 ²ÄÁÏרҵ Çóµ÷¼Á211 ÎÞµØÓòÒªÇó +8 hualkop 2026-04-11 8/400 2026-04-12 22:24 by fqwang
[¿¼ÑÐ] Çóµ÷¼Á£¬Ò»Ö¾Ô¸²ÄÁÏ¿ÆÑ§Ó빤³Ì985£¬365·Ö£¬ +8 ²Ä»¯Àî¿É 2026-04-11 10/500 2026-04-12 08:42 by 852137818
[¿¼ÑÐ] 331Çóµ÷¼Á +5 Íõ¹ú˧ 2026-04-11 5/250 2026-04-11 22:56 by Ϫ½§Á÷Ë®
[¿¼ÑÐ] µ÷¼Á +5 ÎĵÀÐÇ̨ 2026-04-11 5/250 2026-04-11 15:01 by ¿­¿­Òª±ä˧
[¿¼ÑÐ] 301Çóµ÷¼Á +5 149. 2026-04-10 5/250 2026-04-10 15:45 by ²ñС°×
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û