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  Avizo XMolecular Pack

ºÐÀÚ ±¸Á¶ (Molecular Structural) °¡½ÃÈ­ ¹× ºÐ¼®:

 

 

 

n     ´Ù¾çÇÑ µ¥ÀÌÅÍ Çü½ÄÀÇ ºÐÀÚ ¸ðµ¨ ÀÎÆ÷Æ®(Import).

n     ´Ù¾çÇÑ ¹æ¹ýÀ¸·Î ºÐÀÚ °¡½ÃÈ­ ¹× ÀÔü¹èÁÂ(Conformational) º¯È­ ºÐ¼®.

n     ºÐÀÚ ±¸Á¶ Á¤·Ä ¹× ¿¬¼Ó Á¤·Ä(Sequences alignment).

n     ºÐÀÚ±ËÀû(Trajectories) °¡½ÃÈ­, ¾Ö´Ï¸ÞÀÌ¼Ç ¹× ±¸Á¶¹Ðµµ

(Configuration Density).

n     ¿øÀÚ ½Ä(Atom Expression).

n     Avizo Ư¡°ú °áÇÕ:

- ½ºÄ®¶ó ¶Ç´Â º¤ÅÍ Çʵå¿Í °°Àº Ãß°¡ ¼ö·® Á¤º¸ÀÇ °¡½ÃÈ­.

- °­·ÂÇÑ º¼·ý ·»´õ¸µ, ½½¶óÀÌ½Ì ¶Ç´Â iso-surfaces µî

- ¿©·¯ ºÐÀÚµéÀ» µ¿½Ã¿¡ µð½ºÇ÷¹ÀÌ.

- ºÐÀÚÀÇ °¢µµ ¹× ±æÀÌ ÃøÁ¤.

- ºü¸¥ º¼ ¹× ¸·´ë °¡½ÃÈ­,

- À¯¿¬ÇÑ Ä®¶ó ¸ÊÇÎ (Color Scheme).

- ÀÔü ¿µ»ó Áö¿ø.

 

2.jpg

1.jpg

 

 


 

 

n     °áÇÕ°¢µµ(Bond Angle) ŸÀÔÀÇ °¡½ÃÈ­.

n     À¯¿¬ÇÏ°í Æí¸®ÇÑ ºÐÀÚ ¼±ÅÃ(Selection) µµ±¸ ¹× ºÎºÐ µð½ºÇ÷¹ÀÌ.

n     ºÐÀÚ Ç¥¸é(Surface) °¡½ÃÈ­ ¹× ÃßÃâ(Extraction):

- ¹Ýµ¥¸£¹ß½º(Van der Waals) ¼­ÆäÀ̽º ¹× Solvent Accessible ¼­ÆäÀ̽º.

n     ºÐÀÚ ±ËÀû(Trajectories)¿¡¼­ ÀÔü¹èÁÂ(Conformational) ¹Ðµµ °è»ê ¹× °¡½ÃÈ­.

n     ¼ö¼Ò°áÇÕ(Hydrogen bonds) °¡½ÃÈ­, Á¢ÃË¸é ¹× Ç¥¸é °è»ê.

n     ÀÌÂ÷±¸Á¶(Secondary Structures) °è»ê, ºÐ¼® ¹× °¡½ÃÈ­.

n     ºÐÀÚ¿Í Çʵå(Field)¸¦ °áÇÕÇÏ¿© Ç¥½Ã.

 

 

 

 

  1.bmp 2.bmp 4.bmp 3.bmp

 

 


 

 

n     ´Ü¹éÁú Á¢Èû(Protein folding) ½Ã¹Ä·¹À̼Ç:

- 3D ÇüÅ´ ´Ü¹éÁúÀÇ ±â´ÉÀ» ÀÌÇØ Çϴµ¥ ¸¹Àº µµ¿ò.

n     ¹éº»(Backbone) °¡½ÃÈ­.

n     ¿øÀÚ ½Ä(Atom Expression).

n     À¯¿¬ÇÏ°í Æí¸®ÇÑ ¼±ÅÃ(Selection) ¹× Æí¸®ÇÑ ºÎºÐ µð½ºÇ÷¹ÀÌ:

- MoleculeView & BoundAngleView(¿ÞÂÊ) ¹× Selection Brower(¿À¸¥ÂÊ)

 

unfolding_0

 

 

6.jpg 5.jpg

indeed_rna200

 

 


 

 

Áö¿øµÇ´Â ºÐÀÚ(Molecular) µ¥ÀÌÅÍ Çü½Ä:

 

n     AMBER: Assisted Model Building with energy refinement format (r).

n     AMF: Amira Molecule Format (rw).

n     DX: APBS DX electrostatic field file (r).

n     GROMACS: Groningen Machine for chemical simulations format (rw).

n     MAP: Autogrid interaction field file (r).

n     MDL: MDL file format saving chemical structures (rw).

n     PDB: Protein data base file format (rw).

n     PHI: Congen PHI Electrostatic field file (r).

n     PSF/DCD (CHARMM): File format used by CHARMM (r).

n     Tripos: File format used to save Tripos Sybyl mol2 molecules (rw).

n     UniChem: File format used by the UniChem molecular software (rw).

n     ZIB Molecular File Format: Structured molecular file format (rw).

 

 

 

 

 

 

Open Inventor & Avizo´Â VSG»çÀÇ µî·Ï»óǰÀ̸ç,

PHANTOM, OpenHapticsÀº SensAble Technologies»çÀÇ µî·Ï»óÇ¥À̸ç,

(ÁÖ)¾²¸®µð ÀÎÅÍÆäÀ̽º´Â VSG »çÀÇ Á¦Ç° ±º ¹× PHANTOM Á¦Ç° ±ºÀ» ±¹³» µ¶Á¡ °ø±ÞÇÕ´Ï´Ù

Omega & Delta ¹× Sigma´Â ForceDimension »çÀÇ µî·Ï»óÇ¥À̸ç,

ForceDimension, SenseGraphics ¹× Novint »çÀÇ »ó±â Á¦Ç° ±ºÀÇ °ø½Ä Çѱ¹ ´ë¸®Á¡ ÀÔ´Ï´Ù.

 

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