HI:
I want to construct single amino acid 3D structure automatically
But I always manually construct them.
For Example:
File >> New >> open 3D windows >>
Tools >> Protein Modeling >> Build and Edit Action : Create/Grow Chain
Choose Amino Acid : Asp
I monitor torsion angles about phi, psi chi1 and chi2 of Asp in turn.
And torsion angles could be changed and save as another file.
But I want to save many different 3D Asp structures according to many torsion angles as below:
phi psi chi1 chi2
-104.8331 -168.9231 63.2661 16.4819
-128.7824 107.0146 -167.9698 -11.3771
-100.4214 165.2606 66.7865 22.7343
-63.4806 -38.7342 -69.9165 -25.0518
-97.3398 15.0286 65.6655 -19.3474
-73.1945 -33.0042 -65.7206 -56.1525
-71.4028 -20.0616 61.0053 -47.1283
-92.2688 132.4226 -72.3414 -22.8800
-87.4127 -6.2831 -66.5324 -37.0262
-63.8569 -38.7120 -166.6542 52.7331
-62.6847 -38.2128 -74.4780 -7.1170
-97.9187 136.5453 -66.4687 -48.7476
-66.5236 -34.7676 -70.9784 159.0575
-68.8453 141.8953 -73.9256 -10.8667
-83.9412 114.8261 -166.7713 -39.9526
-107.0485 18.5220 63.1657 0.0577
-90.0683 104.5815 -169.7861 -6.1345
-97.7197 106.9831 172.8274 10.3435
.................
.............
......
Please help me how to use simple script or other methods automatically by Discovery Studio or Pipeline Pilot.
Thank you very much
I want to construct single amino acid 3D structure automatically
But I always manually construct them.
For Example:
File >> New >> open 3D windows >>
Tools >> Protein Modeling >> Build and Edit Action : Create/Grow Chain
Choose Amino Acid : Asp
I monitor torsion angles about phi, psi chi1 and chi2 of Asp in turn.
And torsion angles could be changed and save as another file.
But I want to save many different 3D Asp structures according to many torsion angles as below:
phi psi chi1 chi2
-104.8331 -168.9231 63.2661 16.4819
-128.7824 107.0146 -167.9698 -11.3771
-100.4214 165.2606 66.7865 22.7343
-63.4806 -38.7342 -69.9165 -25.0518
-97.3398 15.0286 65.6655 -19.3474
-73.1945 -33.0042 -65.7206 -56.1525
-71.4028 -20.0616 61.0053 -47.1283
-92.2688 132.4226 -72.3414 -22.8800
-87.4127 -6.2831 -66.5324 -37.0262
-63.8569 -38.7120 -166.6542 52.7331
-62.6847 -38.2128 -74.4780 -7.1170
-97.9187 136.5453 -66.4687 -48.7476
-66.5236 -34.7676 -70.9784 159.0575
-68.8453 141.8953 -73.9256 -10.8667
-83.9412 114.8261 -166.7713 -39.9526
-107.0485 18.5220 63.1657 0.0577
-90.0683 104.5815 -169.7861 -6.1345
-97.7197 106.9831 172.8274 10.3435
.................
.............
......
Please help me how to use simple script or other methods automatically by Discovery Studio or Pipeline Pilot.
Thank you very much
